(1-methylpyrrolidin-2-yl)methanamine

• ChemBase ID: 24567
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(C(CN)CCC1)C
• Canonical SMILES: NCC1CCCN1C
• InChI: InChI=1S/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3
• InChIKey: JUFKJRCMBLLXNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpyrrolidin-2-yl)methanamine
• IUPAC Traditional name: (1-methylpyrrolidin-2-yl)methanamine
• Synonyms: (1-methylpyrrolidin-2-yl)methanamine; (1-Methylpyrrolidin-2-yl)methylamine; 1-(1-methyl-2-pyrrolidinyl)methanamine

Database IDs

• CAS Number: 26171-06-2
• MDL Number: MFCD09971798
• PubChem SID: 160987874
• PubChem CID: 117300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1451473
• LogD (pH = 7.4): -2.8681512
• Log P: -0.1412498
• Molar Refractivity: 35.1491 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.314

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%