chempirical

1-(3-Aminopropyl)-2-pipecoline

C9H20N2CAS 25560-00-3156.27 g/mol

Open in Covalent MOL file
NH2N
Primary amineTertiary amine

Properties

Molecular formula
C9H20N2
Molar mass
156.27 g/mol
Exact mass
156.1626 Da
Boiling point
163–170 °C (at 755 Torr)
logP
1.21Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
25560-00-3
SMILES
CC1CCCCN1CCCN
InChIKey
YYAYTNPNFKPFNG-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Piperidinepropanamine, 2-methyl-
  • 2-Pipecoline, 1-(3-aminopropyl)-
  • 2-Methyl-1-piperidinepropanamine
  • 3-(2-Methylpiperidino)propylamine
  • 1-(3-Aminopropyl)-2-methylpiperidine
  • 1-(3-Aminopropyl)-2-methylhexahydropyridine
  • 3-(2-Methylpiperidin-1-yl)propylamine
  • 3-(2-Methyl-1-piperidinyl)-1-propanamine
  • N-(3-Aminopropyl)-2-methylpiperidine

Work with 1-(3-Aminopropyl)-2-pipecoline

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

1-Pyrrolidinepropanamine23159-07-142 % similar 1-Piperidinepropanamine3529-08-641 % similar Bis(3-aminopropyl)methylamine105-83-939 % similar Dimethylaminopropylamine109-55-739 % similar N,N-Dimethyl-1,4-butanediamine3529-10-038 % similar N,N-Bis(3-aminopropyl)dodecylamine2372-82-938 % similar Isoamylamine107-85-737 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-337 % similar

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

Same formula

N-Cyclohexyl-1,3-propanediamine3312-60-5 4-Amino-2,2,6,6-tetramethylpiperidine36768-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook