3-methylpyrrolidin-3-amine

• ChemBase ID: 278608
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: N1CC(N)(CC1)C
• Canonical SMILES: CC1(N)CNCC1
• InChI: InChI=1S/C5H12N2/c1-5(6)2-3-7-4-5/h7H,2-4,6H2,1H3
• InChIKey: WGOWOSXVPSBDEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyrrolidin-3-amine
• IUPAC Traditional name: 3-methylpyrrolidin-3-amine
• Synonyms: 3-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD16619225
• PubChem SID: 164334518
• PubChem CID: 15595853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.050699
• LogD (pH = 7.4): -4.235166
• Log P: -0.7610837
• Molar Refractivity: 29.848 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.331

Product Information

• Purity: 95%