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

C₁₀H₂₁NOCAS 91342-74-4171.28 g/mol

Open in Covalent MOL file

Ketone Tertiary 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

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

2 names

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

2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-735 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-934 % similar 4-Methyl-2-pentyl acetate108-84-932 % similar 3-Methyl-2-pentanone565-61-732 % similar Isobutyl acetate110-19-031 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-631 % similar Methyl isobutyl ketone108-10-130 % similar Dimethylaminoisopropanol108-16-730 % 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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