Summary

IMPPAT Phytochemical identifier: IMPHY013823

Phytochemical name: Bamipine

Synonymous chemical names:
piperamine

External chemical identifiers:
CID:72075, ChEMBL:CHEMBL520400, ChEBI:135165, ZINC:ZINC000000000987, FDASRS:Y6BHZ28O92, SureChEMBL:SCHEMBL29626, MolPort-005-933-704

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Chemical structure information

SMILES:
CN1CCC(CC1)N(c1ccccc1)Cc1ccccc1

InChI:
InChI=1S/C19H24N2/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3

InChIKey:
VZSXTYKGYWISGQ-UHFFFAOYSA-N

DeepSMILES:
CNCCCCC6))Ncccccc6))))))Ccccccc6

Functional groups:
CN(C)C, cN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CN(c2ccccc2)C2CCNCC2)cc1

Scaffold Graph/Node level:
C1CCC(CN(C2CCCCC2)C2CCNCC2)CC1

Scaffold Graph level:
C1CCC(CC(C2CCCCC2)C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylmethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.006

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Chemical structure download