methyl[2-methyl-3-(pyrrolidin-1-yl)propyl]amine

• ChemBase ID: 306605
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CNC)C)CCCC1
• Canonical SMILES: CNCC(CN1CCCC1)C
• InChI: InChI=1S/C9H20N2/c1-9(7-10-2)8-11-5-3-4-6-11/h9-10H,3-8H2,1-2H3
• InChIKey: PMTHKDSKDLHJQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-methyl-3-(pyrrolidin-1-yl)propyl]amine
• IUPAC Traditional name: methyl[2-methyl-3-(pyrrolidin-1-yl)propyl]amine
• Synonyms: N,2-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

Database IDs

• CAS Number: 938458-84-5
• MDL Number: MFCD09055197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.4993753
• LogD (pH = 7.4): -3.556475
• Log P: 0.77084684
• Molar Refractivity: 49.5353 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2