methyl[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amine

• ChemBase ID: 309672
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: C1(N(CCC1CNC)C)(C)C
• Canonical SMILES: CNCC1CCN(C1(C)C)C
• InChI: InChI=1S/C9H20N2/c1-9(2)8(7-10-3)5-6-11(9)4/h8,10H,5-7H2,1-4H3
• InChIKey: WZIIYQYDVDZSFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amine
• Synonyms: N-methyl-1-(1,2,2-trimethyl-3-pyrrolidinyl)methanamine

Database IDs

• MDL Number: MFCD19982724

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7228913
• LogD (pH = 7.4): -3.813731
• Log P: 0.58866817
• Molar Refractivity: 49.3197 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2