Summary

IMPPAT Phytochemical identifier: IMPHY002824

Phytochemical name: 9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine

Synonymous chemical names:
9-methyl-9-azabicyclononan-3-one (granatan-3-one)

External chemical identifiers:
CID:14403175, SureChEMBL:SCHEMBL703572, MolPort-009-680-927

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Chemical structure information

SMILES:
NC1CC2CCCC(C1)N2C

InChI:
InChI=1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3

InChIKey:
HTZWHTQVHWHSHN-UHFFFAOYSA-N

DeepSMILES:
NCCCCCCCC8)N6C

Functional groups:
CN, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCC(C1)N2

Scaffold Graph/Node level:
C1CC2CCCC(C1)N2

Scaffold Graph level:
C1CC2CCCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Piperidines

ClassyFire Subclass: Aminopiperidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Tropane alkaloids

NP-Likeness score: 0.45

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Chemical structure download