4-Amino-4-methyl-2-pentanone

C₆H₁₃NOCAS 625-04-7115.18 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₆H₁₃NO
Molar mass: 115.18 g/mol
Exact mass: 115.0997 Da
Melting point: below 25 °C
Boiling point: 180 °C
logP: 0.70Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

625-04-7

SMILES

CC(=O)CC(C)(C)N

InChIKey

CQTRUFMMCCOKTA-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2-Pentanone, 4-amino-4-methyl-
Diacetonamine
2-Amino-2-methyl-4-pentanone
(1,1-Dimethyl-2-oxobutyl)amine

Work with 4-Amino-4-methyl-2-pentanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4-Dimethyl-2-pentanone590-50-154 % similar 4-Mercapto-4-methyl-2-pentanone19872-52-748 % similar 4-Methoxy-4-methyl-2-pentanone107-70-045 % similar 4-(Methylthio)-4-methyl-2-pentanone23550-40-545 % similar Hydroxyacetone116-09-640 % similar Hexane-2,5-dione110-13-439 % similar tert-Amylamine594-39-836 % similar Butanone78-93-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 trans-4-Aminocyclohexanol27489-62-9 1-Pyrrolidineethanol2955-88-6

Elsewhere

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