3-benzyl-N-methyl-3-azabicyclo[3.1.0]hexan-6-amine

• ChemBase ID: 799746
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: C12CN(CC1C2NC)Cc1ccccc1
• Canonical SMILES: CNC1C2C1CN(C2)Cc1ccccc1
• InChI: InChI=1S/C13H18N2/c1-14-13-11-8-15(9-12(11)13)7-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
• InChIKey: ONIWGZRBYOFFRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-N-methyl-3-azabicyclo[3.1.0]hexan-6-amine
• IUPAC Traditional name: 3-benzyl-N-methyl-3-azabicyclo[3.1.0]hexan-6-amine
• Synonyms: 3-benzyl-N-methyl-3-azabicyclo[3.1.0]hexan-6-amine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.121144
• LogD (pH = 7.4): -1.9050404
• Log P: 1.1641847
• Molar Refractivity: 62.5857 cm^3
• Polarizability: 24.857315 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%