Octylamine
CAS: 111-86-4
| 1 | Octylamine |
| 2 | octan-1-amine |
| 3 | N-OCTYLAMINE |
| 4 | 1-Aminooctane |
| 5 | 1-Octanamine |
Octan-1-amine is an 8-carbon primary aliphatic amine. It has a role as a metabolite. It is a conjugate base of an octan-1-aminium.
| Molecular Formula | C8H19N |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 129.2400 |
| InChIKey | IOQPZZOEVPZRBK-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3 |
| XLogP | 3.1000 |
| ExactMass | 129.1517 |
| MonoisotopicMass | 129.1517 |
| TPSA | 26.0000 |
| Complexity | 43.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 99453 |
| PatentFamilyCount | 35783 |
| LiteratureCount | 1595 |