chempirical

1-Dimethylamino-2-methylpentan-3-one

C8H17NOCAS 51690-03-0143.23 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C8H17NO
Molar mass
143.23 g/mol
Exact mass
143.1310 Da
logP
1.16Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
51690-03-0
SMILES
CCC(=O)C(C)CN(C)C
InChIKey
QVWGKOYVOZJNRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3

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Names and synonyms

1 names
  • 1-(Dimethylamino)-2-methyl-3-pentanone

Work with 1-Dimethylamino-2-methylpentan-3-one

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

Ethyl isopropyl ketone565-69-546 % similar 1,3-Dimethyl-4-piperidone4629-80-545 % similar 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-737 % similar 4-Hydroxy-3-hexanone4984-85-436 % similar 3-((Dimethylamino)methyl)-5-methyl-2-hexanone91342-74-435 % similar 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone197145-37-235 % similar 2-Methylcyclopentanone1120-72-534 % similar 2-Methylcyclohexanone583-60-833 % similar

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

Same formula

1-Piperidinepropanol104-58-5 2-(4-Piperidyl)-2-propanol22990-34-7 Valpromide2430-27-5 2-(Cyclohexylamino)ethanol2842-38-8 4-(Diethylamino)butan-2-one3299-38-5 N,N-Dimethylhexanamide5830-30-8 4-Piperidinepropanol7037-49-2 (S)-2-Amino-2-cyclohexyl-ethanol845714-30-9

Elsewhere

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