Summary

IMPPAT Phytochemical identifier: IMPHY005756

Phytochemical name: 1-(5-Aminopentyl)guanidine

Synonymous chemical names:
homoagmatine

External chemical identifiers:
CID:21298950, ChEMBL:CHEMBL103489, ZINC:ZINC000013356431, SureChEMBL:SCHEMBL5670730

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Chemical structure information

SMILES:
NCCCCCN=C(N)N

InChI:
InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)

InChIKey:
XJHFHPPZQVRVHD-UHFFFAOYSA-N

DeepSMILES:
NCCCCCN=CN)N

Functional groups:
CN, CN=C(N)N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Guanidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Polyamines

NP-Likeness score: 1.42

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Chemical structure download