Summary

IMPPAT Phytochemical identifier: IMPHY014339

Phytochemical name: 1-Methylhexahydro-1H-pyrrolizine

Synonymous chemical names:
1-methylpyrrolizidine

External chemical identifiers:
CID:15559671, ChEMBL:CHEMBL2448854, SureChEMBL:SCHEMBL2618397

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Chemical structure information

SMILES:
CC1CCN2C1CCC2

InChI:
InChI=1S/C8H15N/c1-7-4-6-9-5-2-3-8(7)9/h7-8H,2-6H2,1H3

InChIKey:
BFHBAQJJQJPDGF-UHFFFAOYSA-N

DeepSMILES:
CCCCNC5CCC5

Functional groups:
CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCN2C1

Scaffold Graph/Node level:
C1CC2CCCN2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 0.349

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Chemical structure download