chempirical

1,1-Dimethylpropargylamine

C5H9NCAS 2978-58-783.13 g/mol

Open in Covalent MOL file
NH2
AlkynePrimary amine

Properties

Molecular formula
C5H9N
Molar mass
83.13 g/mol
Exact mass
83.0735 Da
Melting point
18 °C
Boiling point
79.5 °C
logP
0.36Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2978-58-7
SMILES
C#CC(C)(C)N
InChIKey
VUGCBIWQHSRQBZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 3-Butyn-2-amine, 2-methyl-
  • 2-Propynylamine, 1,1-dimethyl-
  • 2-Methyl-3-butyn-2-amine
  • 1,1-Dimethyl-2-propynylamine
  • 3-Amino-3-methyl-1-butyne
  • 3-Amino-3-methylbutyne
  • 1,1-Dimethylpropynylamine
  • 2-Methyl-2-amino-3-butyne
  • 2-Methyl-3-butyn-2-ylamine
  • 3-Methyl-3-amino-1-butyne
  • 2-Amino-2-methyl-3-butyne
  • 3-Amino-3,3-dimethyl-1-propyne
  • 1,1-Dimethyl-2-propyn-1-amine
  • (1,1-Dimethyl-2-propyn-1-yl)amine

Work with 1,1-Dimethylpropargylamine

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

2-Amino-2-methylpropanenitrile19355-69-243 % similar 3,3-Dimethyl-1-butyne917-92-042 % similar 3-Chloro-3-methyl-1-butyne1111-97-336 % similar 2-Methylbut-3-yn-2-ol115-19-536 % similar

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

Same formula

Pentanenitrile110-59-8 Butyl isocyanide2769-64-4 Isovaleronitrile625-28-5 Pivalonitrile630-18-2 1,2,3,6-Tetrahydropyridine694-05-3 tert-Butyl isocyanide7188-38-7 N,N-Dimethylpropargylamine7223-38-3 2-Methyl-1-pyrroline872-32-2

Elsewhere

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