chempirical

Isobutylamine

C4H11NCAS 78-81-973.14 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C4H11N
Molar mass
73.14 g/mol
Exact mass
73.0891 Da
Density
0.724 g/mL (at 25 °C)
Melting point
−85 °C
Boiling point
68–69 °C
logP
0.60Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
78-81-9
SMILES
CC(C)CN
InChIKey
KDSNLYIMUZNERS-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 1-Propanamine, 2-methyl-
  • 2-Methyl-1-propanamine
  • 1-Amino-2-methylpropane
  • Monoisobutylamine
  • Valamine
  • 2-Methylpropylamine
  • 3-Methyl-2-propylamine
  • iso-Butylamine
  • 2-Methylpropanamine
  • 2-Methyl-1-aminopropane
  • NSC 8028
  • i-Butylamine

Work with Isobutylamine

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

Isoamylamine107-85-744 % similar 1,2-Diaminopropane78-90-044 % similar (R)-1-Amino-2-propanol2799-16-842 % similar (+)-1-Amino-2-propanol2799-17-942 % similar 1-Aminopropan-2-ol78-96-642 % similar 2,4-Dimethylpentane108-08-740 % similar 2,5-Dimethylhexane592-13-240 % similar (±)-2-Methylbutylamine96-15-140 % similar

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

Same formula

n-Butylamine109-73-9 Diethylamine109-89-7 (-)-sec-Butylamine13250-12-9 sec-Butylamine13952-84-6 (±)-sec-Butylamine33966-50-6 Methylisopropylamine4747-21-1 (S)-sec-Butylamine513-49-5 N,N-Dimethylethylamine598-56-1

Elsewhere

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