propyl(pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 549087
• Molecular Formular: C15H19N3
• Molecular Mass: 241.33146
• Monoisotopic Mass: 241.15789762
• SMILES: n1c(CN(Cc2ccncc2)CCC)cccc1
• Canonical SMILES: CCCN(Cc1ccccn1)Cc1ccncc1
• InChI: InChI=1S/C15H19N3/c1-2-11-18(12-14-6-9-16-10-7-14)13-15-5-3-4-8-17-15/h3-10H,2,11-13H2,1H3
• InChIKey: IGLNUUGQPFPUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl(pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: propyl(pyridin-2-ylmethyl)(pyridin-4-ylmethyl)amine
• Synonyms: N-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.29845637
• LogD (pH = 7.4): 1.8782983
• Log P: 2.1645732
• Molar Refractivity: 73.6499 cm^3
• Polarizability: 28.887587 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.81
• LOG S: -0.2
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 6