(3S)-N-methylpyrrolidin-3-amine

• ChemBase ID: 797000
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: N1C[C@H](CC1)NC
• Canonical SMILES: CN[C@@H]1CNCC1
• InChI: InChI=1S/C5H12N2/c1-6-5-2-3-7-4-5/h5-7H,2-4H2,1H3/t5-/m0/s1
• InChIKey: NGZYRKGJWYJGRS-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-N-methylpyrrolidin-3-amine
• IUPAC Traditional name: (3S)-N-methylpyrrolidin-3-amine
• Synonyms: (S)-N-Methylpyrrolidin-3-aMine

Database IDs

• CAS Number: 139015-32-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.3523374
• LogD (pH = 7.4): -3.5920947
• Log P: -0.60908
• Molar Refractivity: 29.9844 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%