chempirical

N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine

C11H27N3CAS 3855-32-1201.36 g/mol

Open in Covalent MOL file
NNN
Tertiary amine

Properties

Molecular formula
C11H27N3
Molar mass
201.36 g/mol
Exact mass
201.2205 Da
Boiling point
100–102 °C (at 11 Torr)
logP
0.82Crippen estimate
Polar surface area
9.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
3855-32-1
SMILES
CN(C)CCCN(C)CCCN(C)C
InChIKey
SKCNNQDRNPQEFU-UHFFFAOYSA-N
InChI
InChI=1S/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3

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Names and synonyms

16 names · show all
  • 1,3-Propanediamine, N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-
  • Dipropylamine, 3,3′-bis(dimethylamino)-N-methyl-
  • 1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N′,N′-trimethyl-
  • Polycat 77
  • N,N,N′,N′′,N′′-Pentamethyldipropylenetriamine
  • N,N,N′,N′,N′′-Pentamethyliminobis(propylamine)
  • 2,6,10-Trimethyl-2,6,10-triazaundecane
  • N,N,N′,N′′,N′′-Pentamethyldi-1,3-propylenetriamine
  • 3,3′-Bis(dimethylaminopropyl)methylamine
  • Pentamethyliminobispropylamine
  • N,N,N′,N′,N′-Pentamethyldipropylenetriamine
  • NSC 123346
  • N-[3-(Dimethylamino)propyl]-N,N′,N′-trimethyl-1,3-propanediamine
  • 3,3′-Bis(dimethylamino)-N-methyldipropylamine
  • N-Methyl-N,N-bis(3-dimethylaminopropyl)amine
  • Jeffcat ZR 40

Work with N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-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

Tetramethyl-1,3-propanediamine110-95-273 % similar Pmdta3030-47-565 % similar Hexamethyltriethylenetetramine3083-10-165 % similar N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-363 % similar 1-Methylpyrrolidine120-94-563 % similar N,N,N′,N′-Tetramethyl-1,6-hexanediamine111-18-259 % similar N-Methylpiperidine626-67-559 % similar N,N,4-Trimethyl-1-piperazineethanamine104-19-855 % similar

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

Elsewhere

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