N1,N1-Dibutyl-1,3-propanediamine

C₁₁H₂₆N₂CAS 102-83-0186.34 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₂₆N₂
Molar mass: 186.34 g/mol
Exact mass: 186.2096 Da
Boiling point: 121 °C (at 20 Torr)
logP: 2.24Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 9

Identifiers

CAS number

102-83-0

SMILES

CCCCN(CCCC)CCCN

InChIKey

KYCGURZGBKFEQB-UHFFFAOYSA-N

InChI

InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

1,3-Propanediamine, N1,N1-dibutyl-
1,3-Propanediamine, N,N-dibutyl-
N,N-Dibutyl-1,3-propanediamine
N,N-Dibutyltrimethylenediamine
N,N-Dibutylaminopropylamine
3-(Dibutylamino)propylamine
N,N-Dibutyl-1,3-diaminopropane
3-(Dibutylamino)-1-propylamine
NSC 6333
NSC 7777
3-(N,N-Di-n-butylamino)-1-aminopropane
N-Aminopropyl-N,N-dibutylamine
(3-Aminopropyl)dibutylamine
1,3-Propanediamine N1,N1-dibutyl-

Work with N1,N1-Dibutyl-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Bis(3-aminopropyl)dodecylamine2372-82-982 % similar Tributylamine102-82-968 % similar 1-Pyrrolidinepropanamine23159-07-165 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-365 % similar 1-Butylpyrrolidine767-10-265 % similar 1-Piperidinepropanamine3529-08-662 % similar N,N-Diethyl-1,3-propanediamine104-78-961 % similar n-Butylamine109-73-960 % similar

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

Elsewhere

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