[1-(2-methylpropyl)piperidin-4-yl]methanamine

• ChemBase ID: 306945
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(C)C)CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)CC(C)C
• InChI: InChI=1S/C10H22N2/c1-9(2)8-12-5-3-10(7-11)4-6-12/h9-10H,3-8,11H2,1-2H3
• InChIKey: PGTRGAHRESDWCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methylpropyl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(2-methylpropyl)piperidin-4-yl]methanamine
• Synonyms: 1-(1-isobutylpiperidin-4-yl)methanamine

Database IDs

• CAS Number: 258345-24-3
• MDL Number: MFCD07365294

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3552437
• LogD (pH = 7.4): -3.9396937
• Log P: 1.1062512
• Molar Refractivity: 53.9321 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2