2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine

• ChemBase ID: 263013
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(C(CN)(C)C)CC(CC(C1)C)C
• Canonical SMILES: NCC(N1CC(C)CC(C1)C)(C)C
• InChI: InChI=1S/C11H24N2/c1-9-5-10(2)7-13(6-9)11(3,4)8-12/h9-10H,5-8,12H2,1-4H3
• InChIKey: ZNZYNDGDFJIBTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine
• Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD09931617
• PubChem SID: 164318923
• PubChem CID: 24693214

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3778503
• LogD (pH = 7.4): -1.4276031
• Log P: 1.6706492
• Molar Refractivity: 58.0801 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.498

Product Information

• Purity: 95%