Summary

IMPPAT Phytochemical identifier: IMPHY007618

Phytochemical name: 1,4-Butanediamine, N-(4-aminobutyl)-N'-(3-aminopropyl)-

Synonymous chemical names:
aminopropylhomospermidine

External chemical identifiers:
CID:10059187, SureChEMBL:SCHEMBL3165201

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Chemical structure information

SMILES:
NCCCNCCCCNCCCCN

InChI:
InChI=1S/C11H28N4/c12-6-1-2-8-14-9-3-4-10-15-11-5-7-13/h14-15H,1-13H2

InChIKey:
BKISDFRMYYNEKU-UHFFFAOYSA-N

DeepSMILES:
NCCCNCCCCNCCCCN

Functional groups:
CN, CNC

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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: Ornithine alkaloids

NP Classifier Class: Polyamines

NP-Likeness score: 0.143

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Chemical structure download