3-(Aminopropyl)ethylenediamine

C₅H₁₅N₃CAS 13531-52-7117.20 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₅H₁₅N₃
Molar mass: 117.20 g/mol
Exact mass: 117.1266 Da
Density: 0.9401 g/mL (at 20 °C)
Boiling point: 72 °C (at 1 Torr)
logP: -1.12Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5

Identifiers

CAS number

13531-52-7

SMILES

NCCCNCCN

InChIKey

DTSDBGVDESRKKD-UHFFFAOYSA-N

InChI

InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2

Weigh it out

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

Names and synonyms

15 names · show all

1,3-Propanediamine, N1-(2-aminoethyl)-
1,3-Propanediamine, N-(2-aminoethyl)-
N1-(2-Aminoethyl)-1,3-propanediamine
1,4,8-Triazaoctane
N-(3-Aminopropyl)-1,2-diaminoethane
3-[(2-Aminoethyl)amino]propylamine
N-(2-Aminoethyl)-1,3-diaminopropane
N-(3-Aminopropyl)ethylenediamine
3-Azahexane-1,6-diamine
N3 Amine
1,6-Diamino-3-azahexane
N-(3-Aminoethyl)-1,3-propanediamine
N-(2-Aminoethyl)-1,3-propanediamine
1,6-Diamino-4-azahexane
(2-Aminoethyl)(3-aminopropyl)amine

Work with 3-(Aminopropyl)ethylenediamine

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

Norspermidine56-18-887 % similar N,N′-Bis(3-aminopropyl)ethylenediamine10563-26-581 % similar Norspermine4605-14-581 % similar N,N′-Bis(2-aminoethyl)-1,3-propanediamine4741-99-581 % similar Spermine71-44-381 % similar Spermidine124-20-976 % similar Diethylenetriamine111-40-073 % similar Triethylenetetramine112-24-369 % similar

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

Elsewhere

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