Summary

IMPPAT Phytochemical identifier: IMPHY006962

Phytochemical name: 1-(3-Aminopropyl)imidazole

Synonymous chemical names:
1-(3-amino-propyl)-pyrollinium

External chemical identifiers:
CID:78736, ChEMBL:CHEMBL3984871, ZINC:ZINC000002539270, SureChEMBL:SCHEMBL78110, MolPort-001-791-771

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Chemical structure information

SMILES:
NCCCn1cncc1

InChI:
InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2

InChIKey:
KDHWOCLBMVSZPG-UHFFFAOYSA-N

DeepSMILES:
NCCCncncc5

Functional groups:
CN, cn(c)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c[nH]cn1

Scaffold Graph/Node level:
C1CNCN1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azoles

ClassyFire Subclass: Imidazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Histidine alkaloids

NP Classifier Class: Imidazole alkaloids

NP-Likeness score: -1.491

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Chemical structure download