methyl[(1-methylpyrrolidin-3-yl)methyl]amine

• ChemBase ID: 270692
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(CC1)CNC)C
• Canonical SMILES: CNCC1CCN(C1)C
• InChI: InChI=1S/C7H16N2/c1-8-5-7-3-4-9(2)6-7/h7-8H,3-6H2,1-2H3
• InChIKey: ZLDWGNZSKNMPRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methylpyrrolidin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylpyrrolidin-3-yl)methyl]amine
• Synonyms: N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine; methyl[(1-methylpyrrolidin-3-yl)methyl]amine

Database IDs

• CAS Number: 89850-95-3
• MDL Number: MFCD07643216
• PubChem SID: 164326602
• PubChem CID: 15021556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.037455
• LogD (pH = 7.4): -3.9755592
• Log P: -0.10848353
• Molar Refractivity: 40.2627 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.57

Product Information

• Purity: 95%