Summary

IMPPAT Phytochemical identifier: IMPHY000125

Phytochemical name: 1,4-Diaminobutane

Synonymous chemical names:
1,4-butanediamine, putrescine

External chemical identifiers:
CID:1045, ChEMBL:CHEMBL46257, ChEBI:17148, ZINC:ZINC000005828633, FDASRS:V10TVZ52E4, SureChEMBL:SCHEMBL21642, MolPort-001-781-809

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Chemical structure information

SMILES:
NCCCCN

InChI:
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

InChIKey:
KIDHWZJUCRJVML-UHFFFAOYSA-N

DeepSMILES:
NCCCCN

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: Alkaloids

NP Classifier Superclass: Pseudoalkaloids, Ornithine alkaloids

NP Classifier Class: Acetate-derived alkaloids, Polyamines

NP-Likeness score: 0.566

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Chemical structure download