Summary

IMPPAT Phytochemical identifier: IMPHY016436

Phytochemical name: 4-Methylpentanenitrile

Synonymous chemical names:
4-methylpentanitrile

External chemical identifiers:
CID:10956, ZINC:ZINC000001693282, FDASRS:J6BD44GTPJ, SureChEMBL:SCHEMBL105390, MolPort-004-312-876

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Chemical structure information

SMILES:
N#CCCC(C)C

InChI:
InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3

InChIKey:
DUJMVKJJUANUMQ-UHFFFAOYSA-N

DeepSMILES:
N#CCCCC)C

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: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.609

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Chemical structure download