Pentadecylamine
PubChem CID: 17386
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| Compound Synonyms | 1-Aminopentadecane, PENTADECYLAMINE, 2570-26-5, n-Pentadecylamine, pentadecan-1-amine, 1-Pentadecanamine, 1-Pentadecylamine, Pentadecane, 1-amino-, monopentadecylamine, HSDB 6426, EINECS 219-912-7, UNII-2F7N79M9VH, BRN 1744557, 2F7N79M9VH, CHEBI:87551, MFCD00038195, PENTADECYLAMINE [HSDB], CHEMBL2036099, DTXSID8062529, 4-04-00-00817 (Beilstein Handbook Reference), nPentadecylamine, 1Pentadecanamine, 1Pentadecylamine, Pentadecane, 1amino, Pentadecane, 1-amino, Pentadecylamine, 96%, SCHEMBL37085, DTXCID5037363, BDBM50385113, AKOS009158251, AS-86509, SY052109, A0763, NS00027944, D88320, Q7164947, 219-912-7 |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCN |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organonitrogen compounds |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 112.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadecan-1-amine |
| Class | Organonitrogen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 6.9 |
| Superclass | Organic nitrogen compounds |
| Subclass | Amines |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H33N |
| Inchi Key | JPZYXGPCHFZBHO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | Pentadecylamine, pentadecylamine |
| Esol Class | Soluble |
| Functional Groups | CN |
| Compound Name | Pentadecylamine |
| Kingdom | Organic compounds |
| Exact Mass | 227.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 227.43 |
| Gi Absorption | True |
| 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 |
| Inchi | InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCN |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Monoalkylamines |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Plectranthus Glabratus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698226