Summary

IMPPAT Phytochemical identifier: IMPHY017700

Phytochemical name: Quinoline, 5,6,7,8-tetrahydro-2,5,5-trimethyl-

Synonymous chemical names:
2,5,5-trimethyl5,6,7,8-tetrahydro- quinoline

External chemical identifiers:
CID:71341358

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Chemical structure information

SMILES:
Cc1ccc2c(n1)CCCC2(C)C

InChI:
InChI=1S/C12H17N/c1-9-6-7-10-11(13-9)5-4-8-12(10,2)3/h6-7H,4-5,8H2,1-3H3

InChIKey:
OVXXQJSURHNKSG-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6)CCCC6C)C

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2NCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Hydroquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 0.413

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Chemical structure download