chempirical

N,N-Diethyl-1,3-propanediamine

C7H18N2CAS 104-78-9130.23 g/mol

Open in Covalent MOL file
NNH2
Primary amineTertiary amine

Properties

Molecular formula
C7H18N2
Molar mass
130.23 g/mol
Exact mass
130.1470 Da
Density
0.8283 g/mL (at 20 °C)
Boiling point
168.5 °C
logP
0.68Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
104-78-9
SMILES
CCN(CC)CCCN
InChIKey
QOHMWDJIBGVPIF-UHFFFAOYSA-N
InChI
InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

25 names · show all
  • 1,3-Propanediamine, N1,N1-diethyl-
  • 1,3-Propanediamine, N,N-diethyl-
  • N1,N1-Diethyl-1,3-propanediamine
  • 1-Amino-3-(diethylamino)propane
  • N-(3-Diethylaminopropyl)amine
  • 3-(Diethylamino)propylamine
  • Diethylaminotrimethylenamine
  • N,N-Diethyl-1,3-diaminopropane
  • 3-Diethylamino-1-propylamine
  • 3-(N,N-Diethylamino)-1-propylamine
  • γ-(Diethylamino)propylamine
  • N,N-Diethyltrimethylenediamine
  • N,N-Diethyl-1,3-propylenediamine
  • 3-(Diethylamino)-n-propylamine
  • N-(Diethylaminopropyl)amine
  • 3-(Diethylamino)propanamine
  • 3-(N,N-Diethylamino)propylamine
  • NSC 7776
  • N-(3-Aminopropyl)-N,N-diethylamine
  • N1,N1-Diethylpropane-1,3-diamine
  • N-(3-Aminopropyl)diethylamine
  • (3-Diethylaminopropan-1-yl)amine
  • N,N-Ethylpropane-1,3-diamine
  • N-Aminopropyl-N,N-diethylamine
  • 3-Diethylamino-1-propaneamine

Work with N,N-Diethyl-1,3-propanediamine

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

N,N-Diethyl-1,4-butanediamine27431-62-585 % similar N,N-Diethylethylenediamine100-36-770 % similar N1,N1-Dibutyl-1,3-propanediamine102-83-061 % similar 1-Pyrrolidinepropanamine23159-07-160 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-360 % similar 1-Piperidinepropanamine3529-08-657 % similar N,N-Bis(3-aminopropyl)dodecylamine2372-82-956 % similar 1-Ethylpyrrolidine7335-06-055 % similar

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

Same formula

N1,N3-Diethyl-1,3-propanediamine10061-68-4 N,N-Diethyl-N′-methylethylenediamine104-79-0 Tetramethyl-1,3-propanediamine110-95-2 1,7-Heptanediamine646-19-5

Elsewhere

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