(2-methylpropyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 310784
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1cc(CNCC(C)C)ccc1
• Canonical SMILES: CC(CNCc1cccnc1)C
• InChI: InChI=1S/C10H16N2/c1-9(2)6-12-8-10-4-3-5-11-7-10/h3-5,7,9,12H,6,8H2,1-2H3
• InChIKey: VRLHLCWWRNNISC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: (2-methylpropyl)(pyridin-3-ylmethyl)amine
• Synonyms: 2-methyl-N-(pyridin-3-ylmethyl)propan-1-amine

Database IDs

• CAS Number: 70065-76-8
• MDL Number: MFCD00716872

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.631545
• LogD (pH = 7.4): -0.62501025
• Log P: 1.5582254
• Molar Refractivity: 50.8933 cm^3
• Polarizability: 20.189867 Å^3
• Polar Surface Area: 24.92 Å^2