Summary

IMPPAT Phytochemical identifier: IMPHY015882

Phytochemical name: Pentadecanenitrile

Synonymous chemical names:
pentadecanenitrile

External chemical identifiers:
CID:87568, ZINC:ZINC000002566251, SureChEMBL:SCHEMBL60022, MolPort-006-122-563

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC#N

InChI:
InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3

InChIKey:
KRKQHNVYOWTEQO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC#N

Functional groups:
CC#N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Organic cyanides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: -0.014

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Chemical structure download