1-cyclopropyl-N-methylpyrrolidin-3-amine

• ChemBase ID: 273433
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2CC2)CC(CC1)NC
• Canonical SMILES: CNC1CCN(C1)C1CC1
• InChI: InChI=1S/C8H16N2/c1-9-7-4-5-10(6-7)8-2-3-8/h7-9H,2-6H2,1H3
• InChIKey: DDPNGNWBZMIZNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-methylpyrrolidin-3-amine
• IUPAC Traditional name: 1-cyclopropyl-N-methylpyrrolidin-3-amine
• Synonyms: 1-cyclopropyl-N-methylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD11640858
• PubChem SID: 164329343
• PubChem CID: 43315354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2314324
• LogD (pH = 7.4): -2.3995
• Log P: 0.23953246
• Molar Refractivity: 42.4903 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.345

Product Information

• Purity: 95%