[2-(3,5-dimethylpiperidin-1-yl)ethyl](methyl)amine

• ChemBase ID: 25130
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(CC(C1)C)C)CCNC
• Canonical SMILES: CNCCN1CC(C)CC(C1)C
• InChI: InChI=1S/C10H22N2/c1-9-6-10(2)8-12(7-9)5-4-11-3/h9-11H,4-8H2,1-3H3
• InChIKey: PHDFWZDBGJLFLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3,5-dimethylpiperidin-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(3,5-dimethylpiperidin-1-yl)ethyl](methyl)amine
• Synonyms: N-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-N-methylamine

Database IDs

• MDL Number: MFCD09971866
• PubChem SID: 160988437
• PubChem CID: 43199730

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5595677
• LogD (pH = 7.4): -1.2438241
• Log P: 1.4060779
• Molar Refractivity: 53.7977 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false