methyl[2-(2-methylpiperidin-1-yl)ethyl]amine

• ChemBase ID: 307410
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(C)CCCC1)CCNC
• Canonical SMILES: CNCCN1CCCCC1C
• InChI: InChI=1S/C9H20N2/c1-9-5-3-4-7-11(9)8-6-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: SIKDRLKHNOSSEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(2-methylpiperidin-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(2-methylpiperidin-1-yl)ethyl]amine
• Synonyms: N-methyl-2-(2-methylpiperidin-1-yl)ethanamine

Database IDs

• CAS Number: 915922-23-5
• MDL Number: MFCD08059962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6933208
• LogD (pH = 7.4): -1.487682
• Log P: 1.0927072
• Molar Refractivity: 49.2733 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2