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

• ChemBase ID: 312542
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1c(CNCC(C)C)cccc1
• Canonical SMILES: CC(CNCc1ccccn1)C
• InChI: InChI=1S/C10H16N2/c1-9(2)7-11-8-10-5-3-4-6-12-10/h3-6,9,11H,7-8H2,1-2H3
• InChIKey: CBSNWEWHYJBTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 892592-08-4
• MDL Number: MFCD07411571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3494223
• LogD (pH = 7.4): 0.18717955
• Log P: 1.6396973
• Molar Refractivity: 50.3711 cm^3
• Polarizability: 20.190737 Å^3
• Polar Surface Area: 24.92 Å^2