chempirical

Isovaleramide

C5H11NOCAS 541-46-8101.15 g/mol

Open in Covalent MOL file
NH2O

Properties

Molecular formula
C5H11NO
Molar mass
101.15 g/mol
Exact mass
101.0841 Da
Melting point
137 °C
Boiling point
226 °C
logP
1.57Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
541-46-8
SMILES
CC(C)CC(=N)O
InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)

Weigh it out

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

Names and synonyms

8 names
  • Butanamide, 3-methyl-
  • 3-Methylbutanamide
  • Isovaleric acid amide
  • 3-Methylbutyramide
  • β-Methylbutyramide
  • Isopentanamide
  • NSC 402555
  • NPS 1776

Work with Isovaleramide

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

3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-652 % similar (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-852 % similar D-Asparagine2058-58-445 % similar Asparagine3130-87-845 % similar Asparagine70-47-345 % similar 3-Methylbutanoic acid503-74-244 % similar Propanamide79-05-043 % similar Malonamide108-13-443 % similar

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

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 (3R)-Tetrahydro-3-furanmethanamine1048962-82-8 (3S)-Tetrahydro-3-furanmethanamine1048962-84-0 N-Methylmorpholine109-02-4 D-Beta-Prolinol110013-18-8 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7

Elsewhere

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