Summary

IMPPAT Phytochemical identifier: IMPHY017665

Phytochemical name: Tetradecanenitrile

Synonymous chemical names:
tetradecanonitrile

External chemical identifiers:
CID:64678, ZINC:ZINC000001587694, SureChEMBL:SCHEMBL1003191

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC#N

InChI:
InChI=1S/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3

InChIKey:
MLRCLPRHEOPXLL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC#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: -0.015

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Chemical structure download