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

• ChemBase ID: 241945
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(C)C)C(CN)CCCC1
• Canonical SMILES: NCC1CCCCN1CC(C)C
• InChI: InChI=1S/C10H22N2/c1-9(2)8-12-6-4-3-5-10(12)7-11/h9-10H,3-8,11H2,1-2H3
• InChIKey: GJZHTEIODPUPRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11131556
• PubChem SID: 164297855
• PubChem CID: 43187047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4088728
• LogD (pH = 7.4): -1.3562566
• Log P: 1.5476221
• Molar Refractivity: 53.4943 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.33

Product Information

• Purity: 95%