Summary

IMPPAT Phytochemical identifier: IMPHY011023

Phytochemical name: Octadecylamine

Synonymous chemical names:
1-octadecanamine

External chemical identifiers:
CID:15793, ChEMBL:CHEMBL55860, ChEBI:63866, ZINC:ZINC000038141453, FDASRS:FFV58UNY7O, SureChEMBL:SCHEMBL12291, MolPort-000-872-115

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCN

InChI:
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3

InChIKey:
REYJJPSVUYRZGE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCN

Functional groups:
CN

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.304

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Chemical structure download