Summary

IMPPAT Phytochemical identifier: IMPHY001376

Phytochemical name: 1,17-Diamino-4,9,13-triazaheptadecane

Synonymous chemical names:
aminopropylcanavalmine

External chemical identifiers:
CID:10265329, ChEBI:168529, ZINC:ZINC000013439020, SureChEMBL:SCHEMBL3165616

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Chemical structure information

SMILES:
NCCCNCCCCNCCCNCCCCN

InChI:
InChI=1S/C14H35N5/c15-7-1-2-9-18-13-6-14-19-11-4-3-10-17-12-5-8-16/h17-19H,1-16H2

InChIKey:
WLHDGVSIMKQJQP-UHFFFAOYSA-N

DeepSMILES:
NCCCNCCCCNCCCNCCCCN

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: 0.087

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Chemical structure download