4,4-dimethyl-2-(piperidin-2-yl)pentan-1-amine

• ChemBase ID: 274526
• Molecular Formular: C12H26N2
• Molecular Mass: 198.34824
• Monoisotopic Mass: 198.20959884
• SMILES: C(CC(C)(C)C)(C1NCCCC1)CN
• Canonical SMILES: NCC(C1CCCCN1)CC(C)(C)C
• InChI: InChI=1S/C12H26N2/c1-12(2,3)8-10(9-13)11-6-4-5-7-14-11/h10-11,14H,4-9,13H2,1-3H3
• InChIKey: NFNRHHBHQWDYFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethyl-2-(piperidin-2-yl)pentan-1-amine
• IUPAC Traditional name: 4,4-dimethyl-2-(piperidin-2-yl)pentan-1-amine
• Synonyms: 4,4-dimethyl-2-(piperidin-2-yl)pentan-1-amine

Database IDs

• MDL Number: MFCD18838858
• PubChem SID: 164330436
• PubChem CID: 54593219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.958184
• LogD (pH = 7.4): -2.1183758
• Log P: 1.9357578
• Molar Refractivity: 61.9629 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.847

Product Information

• Purity: 95%