Diethylamine
PubChem CID: 8021
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| Compound Synonyms | DIETHYLAMINE, 109-89-7, N-Ethylethanamine, N,N-Diethylamine, Diethamine, Ethanamine, N-ethyl-, Diaethylamin, Dietilamina, Dwuetyloamina, diethyl amine, Diethyl-amine, Et2NH, CCRIS 4792, HSDB 524, (C2H5)2NH, EINECS 203-716-3, UNII-B035PIS86W, B035PIS86W, DTXSID6021909, CHEBI:85259, AI3-24215, MFCD00009032, DTXCID501909, EC 203-716-3, ethane, ethylamino-, Diethylamin, N-Ethyl-Ethanamine, Diaethylamin [German], Dietilamina [Italian], Dwuetyloamina [Polish], MELPHALAN IMPURITY K (EP IMPURITY), MELPHALAN IMPURITY K [EP IMPURITY], UN1154, dietylamine, di-ethylamine, N,N-diethyl amine, ethanamine, N-ethyl, Diethylamine, 98%, Diethylamine, BioXtra, HNEt2, DIETHYLAMINE [MI], DIETHYLAMINE [HSDB], Diethylamine, >=99.5%, CHEMBL1189, Diethylamine, LR, >=99%, (CH3CH2)2 NH, Diethylamine, p.a., 99.0%, AAA99711, KLA13288, STR00027, YWB01951, Tox21_202506, STL197470, Diethylamine, for synthesis, 99.0%, AKOS000269031, Diethylamine 2000 microg/mL in Water, FD31628, UN 1154, NCGC00090709-01, NCGC00090709-02, NCGC00260055-01, CAS-109-89-7, Diethylamine, SAJ first grade, >=98.0%, D0462, Diethylamine [UN1154] [Flammable liquid], Diethylamine, SAJ special grade, >=99.0%, NS00002245, D89660, Diethylamine, puriss. p.a., >=99.5% (GC), Diethylamine, purified by redistillation, 99.5%, Q414196, InChI=1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H, 203-716-3, 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamideN-ethylethanamine (1/1) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCNCC |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organonitrogen compounds |
| Description | Diethylamine, also known as (c2h5)2nh or dea, is a member of the class of compounds known as dialkylamines. Dialkylamines are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. Diethylamine is soluble (in water) and a very strong basic compound (based on its pKa). Diethylamine is an ammoniacal and fishy tasting compound and can be found in a number of food items such as corn, apple, barley, and common grape, which makes diethylamine a potential biomarker for the consumption of these food products. Diethylamine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Diethylamine is an organic compound with the formula (CH3CH2)2NH. It is a secondary amine. It is a flammable, weakly alkaline liquid that is miscible with most solvents. It is a colorless liquid, but commercial samples often appear brown due to impurities. It has a strong ammonia-like odor . |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 11.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-ethylethanamine |
| Prediction Hob | 1.0 |
| Class | Organonitrogen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Target Id | NPT539 |
| Xlogp | 0.6 |
| Superclass | Organic nitrogen compounds |
| Subclass | Amines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H11N |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPNMFZURTQLUMO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.996 |
| Rotatable Bond Count | 2.0 |
| State | liquid |
| Logd | -0.035 |
| Synonyms | 2-Aminopentane, 2,2'-Diethylamine, Diaethylamin, Diethamine, Diethylamine, Ethanamine, n-ethyl-, N-ethyl-ethanamine, N-ethylethanamine, N,n-diethylamine, (C2H5)2nh, DEA, Et2nh, N,N-Diethylamine, 5-oxo-L-Prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfO-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamiden-ethylethanamine (1/1), Caerulein diethylamine, Ceruletide diethylamine, Diethylnitrosamine, Dietilamina, Dwuetyloamina, N-Ethylethanamine, NDEA, Diethylamine acetate, Diethylamine hydrochloride, Diethylamine phosphate (1:1), Diethylamine perchlorate, Diethylamine sulfate, Diethylamine sulfite (1:1), Diethylamine hydrobromide, diethyl-amine, diethylamine |
| Esol Class | Very soluble |
| Functional Groups | CNC |
| Compound Name | Diethylamine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 73.0891 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 73.0891 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 73.14 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -0.5268617999999999 |
| Inchi | InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 |
| Smiles | CCNCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkylamines |
- 1. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/10869671 - 2. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172361150 - 3. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all