Dodecylamine
PubChem CID: 13583
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| Compound Synonyms | DODECYLAMINE, 124-22-1, 1-Dodecanamine, dodecan-1-amine, Laurylamine, 1-Aminododecane, n-Dodecylamine, Lauramine, 1-Dodecylamine, Alamine 4, Monododecylamine, n-Laurylamine, Nissan amine BB, Laurinamine, Armeen 12D, Kemamine P690, Amine BB, Farmin 20D, Lauryl amine, Dodecanamine, n-dodecyl amine, Amine 12, HSDB 2645, UNII-YWY9OD6A2K, YWY9OD6A2K, EINECS 204-690-6, MFCD00008154, Armeen 12, BRN 1633576, DTXSID3021984, AI3-15083, DODECYLAMINE [HSDB], CHEMBL109904, DTXCID901984, EC 204-690-6, 4-04-00-00794 (Beilstein Handbook Reference), dodecane, 1-amino-, Armeen 12D, Farmin 20D, HAN 12, Dodecyl amine, DODECYLAMINE (15N), CAS-124-22-1, dodecylamin, nDodecylamine, nLaurylamine, 1dodecylamine, dodecyl-amine, 1Aminododecane, 1Dodecanamine, n-dodecyl-amine, 1-dodecyl amine, dodecane-1-amine, EINECS 268-953-7, Dodecylamine, 98%, Amine-12, Dodecylamine, >=99%, LAURAMINE [INCI], EC 268-953-7, SCHEMBL25484, CHEBI:193593, C12H25-NH2, DTXSID801022411, ALBB-025930, STR02320, Tox21_201900, Tox21_302940, BDBM50147554, STL268899, AKOS015843225, FD45567, 1-Aminododecane Dodecylamine Laurylamine, NCGC00164141-01, NCGC00164141-02, NCGC00256405-01, NCGC00259449-01, Dodecylamine, puriss., >=99.5% (GC), CS-0013582, D0980, NS00005523, EN300-40533, Q21091987, F0001-0378, 204-690-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Amino fatty acids, Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCN |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecan-1-amine |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H27N |
| Inchi Key | JRBPAEWTRLWTQC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 1-dodecanamine |
| Esol Class | Very soluble |
| Functional Groups | CN |
| Compound Name | Dodecylamine |
| Exact Mass | 185.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 185.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 185.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3 |
| Smiles | CCCCCCCCCCCCN |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates, Fatty acyls |
- 1. Outgoing r'ship
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