Summary

IMPPAT Phytochemical identifier: IMPHY015406

Phytochemical name: 5-Diethylamino-2-pentanone

Synonymous chemical names:
5-diethylamino-2-pentanone

External chemical identifiers:
CID:7739, ZINC:ZINC000001693400, SureChEMBL:SCHEMBL164414, MolPort-001-783-646

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Chemical structure information

SMILES:
CCN(CCCC(=O)C)CC

InChI:
InChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3

InChIKey:
GRGNJBKJCVOFEO-UHFFFAOYSA-N

DeepSMILES:
CCNCCCC=O)C)))))CC

Functional groups:
CC(C)=O, CN(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: -0.673

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Chemical structure download