methyl(piperidin-3-ylmethyl)(propan-2-yl)amine

• ChemBase ID: 265336
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N(CC1CNCCC1)(C(C)C)C
• Canonical SMILES: CN(C(C)C)CC1CCCNC1
• InChI: InChI=1S/C10H22N2/c1-9(2)12(3)8-10-5-4-6-11-7-10/h9-11H,4-8H2,1-3H3
• InChIKey: ABFLKMBXZMYJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(piperidin-3-ylmethyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(methyl)(piperidin-3-ylmethyl)amine
• Synonyms: methyl(piperidin-3-ylmethyl)propan-2-ylamine

Database IDs

• MDL Number: MFCD09041050
• PubChem SID: 164321246
• PubChem CID: 16767688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9523726
• LogD (pH = 7.4): -2.9029038
• Log P: 1.1094681
• Molar Refractivity: 54.0311 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.087

Product Information

• Purity: 95%