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

• ChemBase ID: 312371
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: n1ccc(CNCC(C)C)cc1
• Canonical SMILES: CC(CNCc1ccncc1)C
• InChI: InChI=1S/C10H16N2/c1-9(2)7-12-8-10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3
• InChIKey: JFINAHAVXGIORL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (2-methylpropyl)(pyridin-4-ylmethyl)amine
• Synonyms: 2-methyl-N-(4-pyridinylmethyl)-1-propanamine

Database IDs

• CAS Number: 869941-71-9
• MDL Number: MFCD04533017

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6414587
• LogD (pH = 7.4): -0.71697366
• Log P: 1.5582254
• Molar Refractivity: 50.8933 cm^3
• Polarizability: 20.189604 Å^3
• Polar Surface Area: 24.92 Å^2