(pyrrolidin-2-yl)methanamine

• ChemBase ID: 293479
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: NCC1NCCC1
• Canonical SMILES: NCC1CCCN1
• InChI: InChI=1S/C5H12N2/c6-4-5-2-1-3-7-5/h5,7H,1-4,6H2
• InChIKey: AUKXFNABVHIUAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyrrolidin-2-yl)methanamine; pyrrolidin-2-ylmethanamine
• IUPAC Traditional name: 2-pyrrolidinemethanamine
• Synonyms: Pyrrolidin-2-ylmethanamine

Database IDs

• CAS Number: 57734-57-3
• PubChem SID: 180679010
• PubChem CID: 72032

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5674543
• LogD (pH = 7.4): -3.8617754
• Log P: -0.5242977
• Molar Refractivity: 29.8544 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%