methyl[(1-methylpyrrolidin-2-yl)methyl]amine

• ChemBase ID: 310356
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(C(CNC)CCC1)C
• Canonical SMILES: CNCC1CCCN1C
• InChI: InChI=1S/C7H16N2/c1-8-6-7-4-3-5-9(7)2/h7-8H,3-6H2,1-2H3
• InChIKey: VAGHQPQYMACYDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methylpyrrolidin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylpyrrolidin-2-yl)methyl]amine
• Synonyms: N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

Database IDs

• CAS Number: 23210-47-1
• MDL Number: MFCD08060061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.683529
• LogD (pH = 7.4): -2.5755098
• Log P: 0.29133058
• Molar Refractivity: 39.9237 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2