2-methyl-1-(4-methylpiperidin-1-yl)propan-2-amine

• ChemBase ID: 17029
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: C(CN1CCC(CC1)C)(C)(C)N
• Canonical SMILES: CC1CCN(CC1)CC(N)(C)C
• InChI: InChI=1S/C10H22N2/c1-9-4-6-12(7-5-9)8-10(2,3)11/h9H,4-8,11H2,1-3H3
• InChIKey: QPEKEBRFZHIMMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(4-methylpiperidin-1-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(4-methylpiperidin-1-yl)propan-2-amine
• Synonyms: 2-methyl-1-(4-methylpiperidino)-2-propanamine; 1,1-Dimethyl-2-(4-methyl-piperidin-1-yl)-ethylamine

Database IDs

• CAS Number: 690632-11-2
• MDL Number: MFCD05022424
• PubChem SID: 160980336
• PubChem CID: 2794703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.140283
• LogD (pH = 7.4): -1.972178
• Log P: 1.2277225
• Molar Refractivity: 53.6855 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%