chempirical

4-Dimethylaminobutylamine

C6H16N2CAS 3529-10-0116.21 g/mol

Open in Covalent MOL file
NNH2
Primary amineTertiary amine

Properties

Molecular formula
C6H16N2
Molar mass
116.21 g/mol
Exact mass
116.1313 Da
Density
0.8179 g/mL (at 20 °C)
Boiling point
49–50 °C (at 7 Torr)
logP
0.29Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3529-10-0
SMILES
CN(C)CCCCN
InChIKey
GCOWZPRIMFGIDQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all
  • N,N-Dimethyl-1,4-butanediamine
  • 1,4-Butanediamine, N1,N1-dimethyl-
  • 1,4-Butanediamine, N,N-dimethyl-
  • N1,N1-Dimethyl-1,4-butanediamine
  • Dimethylaminobutylamine
  • 4-(Dimethylamino)butylamine
  • N,N-Dimethylputrescine
  • N,N-Dimethyltetramethylenediamine
  • 4-(N,N-Dimethylamino)butylamine
  • 1-Amino-4-(dimethylamino)butane
  • N-(4-Aminobutyl)-N,N-dimethylamine
  • 4-(Dimethylamino)-1-butylamine
  • N′,N′-Dimethylbutane-1,4-diamine
  • (4-Aminobutyl)dimethylamine
  • N,N-Dimethylbutanediamine
  • 4-Dimethylaminobutan-1-amine

Work with 4-Dimethylaminobutylamine

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

Dimethylaminopropylamine109-55-783 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-365 % similar 1,1-Dimethylethylenediamine108-00-963 % similar Tetramethylhexamethylenediamine111-18-261 % similar N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-256 % similar 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-055 % similar Bis(3-aminopropyl)methylamine105-83-950 % similar N,N-Diethyl-1,4-butanediamine27431-62-550 % similar

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

Same formula

N,N-Diethylethylenediamine100-36-7 N,N,N′,N′-Tetramethylethylenediamine110-18-9 N,N'-Diethylethylenediamine111-74-0 Hexamethylenediamine124-09-4 N1-Butyl-1,2-ethanediamine19522-69-1 N,N,N′-Trimethyl-1,3-propanediamine4543-96-8

Elsewhere

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