Summary

IMPPAT Phytochemical identifier: IMPHY012346

Phytochemical name: 2,6-Diethylpyridine

Synonymous chemical names:
2,6-diethylpyridine

External chemical identifiers:
CID:136745, ZINC:ZINC000013282472, SureChEMBL:SCHEMBL45869, MolPort-009-684-799

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Chemical structure information

SMILES:
CCc1cccc(n1)CC

InChI:
InChI=1S/C9H13N/c1-3-8-6-5-7-9(4-2)10-8/h5-7H,3-4H2,1-2H3

InChIKey:
WHTDCOSHHMXZNE-UHFFFAOYSA-N

DeepSMILES:
CCcccccn6)CC

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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -1.051

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Chemical structure download