Summary

IMPPAT Phytochemical identifier: IMPHY012621

Phytochemical name: 2-Isobutyl-4-methylpyridine

Synonymous chemical names:
2-isobutyl-4-methylpyridine

External chemical identifiers:
CID:572331, SureChEMBL:SCHEMBL6920045

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Chemical structure information

SMILES:
CC(Cc1nccc(c1)C)C

InChI:
InChI=1S/C10H15N/c1-8(2)6-10-7-9(3)4-5-11-10/h4-5,7-8H,6H2,1-3H3

InChIKey:
GZUWMFOJIYTMTM-UHFFFAOYSA-N

DeepSMILES:
CCCcncccc6)C)))))))C

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccncc1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.083

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Chemical structure download