Pentylamine
PubChem CID: 8060
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| Compound Synonyms | Amylamine, Pentylamine, 110-58-7, pentan-1-amine, 1-Pentylamine, N-AMYLAMINE, 1-Aminopentane, n-Pentylamine, 1-Pentanamine, Monoamylamine, Norleucamine, amyl amine, monopentylamine, CCRIS 6210, pentyl amine, n--Amylamine, UNII-E05QM3V8EF, NSC 7906, EINECS 203-780-2, BRN 0505953, AI3-15379, NSC-7906, N-AMYLAMINE [MI], PENTYLAMINE [FHFI], E05QM3V8EF, n-C5H11NH2, DTXSID0021919, FEMA NO. 4242, CHEBI:74848, EC 203-780-2, 4-04-00-00674 (Beilstein Handbook Reference), pentane, 1-amino-, 1-PENTYLAMINE (AMYLAMINE), 1-PENTYLAMINE {AMYLAMINE}, AML, 1Aminopentane, 1Pentanamine, 1Pentylamine, n-pentyl amine, 1-amino pentane, 3-ethyl-propylamine, Amylamine, 99%, UN1106, n-AmNH2, 1-Aminopentane, Pentylamine, Me(CH2)4NH2, Amylamine, >=99%, FG, Amylamine, analytical standard, CH3(CH2)4NH2, DTXCID801919, NSC7906, STR07758, BBL011398, MFCD00008236, STL146502, AKOS000119067, DB02045, FA59879, A0445, NS00005040, EN300-19020, 10.14272/DPBLXKKOBLCELK-UHFFFAOYSA-N.1, Q766883, doi:10.14272/DPBLXKKOBLCELK-UHFFFAOYSA-N.1, F2190-0404, Z104472246, 203-780-2, 932-628-4, 935-734-9 |
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| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Description | Constituent of Annona muricata (soursop). AML 1 is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 19.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentan-1-amine |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C5H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPBLXKKOBLCELK-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| State | liquid |
| Synonyms | 1-Aminopentane, 1-Pentanamine, 1-Pentylamine, Monoamylamine, N-amylamine, N-pentylamine, Norleucamine, pentan-1-amine |
| Compound Name | Pentylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 87.1048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 87.1048 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 87.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1211292 |
| Inchi | InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3 |
| Smiles | CCCCCN |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (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