3-((Dimethylamino)methyl)-5-methyl-2-hexanone

C10H21NOCAS 91342-74-4171.28 g/mol

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ON
KetoneTertiary amine

Properties

Molecular formula
C10H21NO
Molar mass
171.28 g/mol
Exact mass
171.1623 Da
logP
1.80Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
91342-74-4
SMILES
CC(=O)C(CC(C)C)CN(C)C
InChIKey
QCDJYGZCMGEQNF-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO/c1-8(2)6-10(9(3)12)7-11(4)5/h8,10H,6-7H2,1-5H3

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Names and synonyms

3 names
  • 3-[(Dimethylamino)methyl]-5-methyl-2-hexanone
  • 2-Hexanone, 3-[(dimethylamino)methyl]-5-methyl-
  • 3-((Dimethylamino)methyl)-5-methylhexan-2-one

Work with 3-((Dimethylamino)methyl)-5-methyl-2-hexanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclopropyl methyl ketone765-43-541 % similar Cyclopentyl methyl ketone6004-60-039 % similar Cyclohexyl methyl ketone823-76-738 % similar 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-535 % similar 1-Dimethylamino-2-methylpentan-3-one51690-03-035 % similar 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-735 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-934 % similar Methyl isopropyl ketone563-80-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,2,6,6-Pentamethyl-4-piperidinol2403-89-6 N,2,3-Trimethyl-2-isopropylbutanamide51115-67-4

Elsewhere

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