4-methyl-2-(piperidin-2-yl)hexan-1-amine

• ChemBase ID: 274523
• Molecular Formular: C12H26N2
• Molecular Mass: 198.34824
• Monoisotopic Mass: 198.20959884
• SMILES: C(C1NCCCC1)(CC(CC)C)CN
• Canonical SMILES: NCC(C1CCCCN1)CC(CC)C
• InChI: InChI=1S/C12H26N2/c1-3-10(2)8-11(9-13)12-6-4-5-7-14-12/h10-12,14H,3-9,13H2,1-2H3
• InChIKey: XPBPZMFLTQXTQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(piperidin-2-yl)hexan-1-amine
• IUPAC Traditional name: 4-methyl-2-(piperidin-2-yl)hexan-1-amine
• Synonyms: 4-methyl-2-(piperidin-2-yl)hexan-1-amine

Database IDs

• MDL Number: MFCD18838855
• PubChem SID: 164330433
• PubChem CID: 54593216

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8138652
• LogD (pH = 7.4): -1.9743116
• Log P: 2.0802794
• Molar Refractivity: 62.0888 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 38.05 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.977

Product Information

• Purity: 95%