10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

• ChemBase ID: 130169
• Molecular Formular: C18H25N
• Molecular Mass: 255.3978
• Monoisotopic Mass: 255.19869981
• SMILES: c12c(cccc1)CC1N(CCC2(C1C)C)CC1CC1
• Canonical SMILES: CC1C2Cc3c(C1(C)CCN2CC1CC1)cccc3
• InChI: InChI=1S/C18H25N/c1-13-17-11-15-5-3-4-6-16(15)18(13,2)9-10-19(17)12-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3
• InChIKey: SVKVWRTVTPUQBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,^7]trideca-2(7),3,5-triene
• IUPAC Traditional name: volazocine
• Synonyms: Volazocine

Database IDs

• CAS Number: 15686-68-7
• PubChem SID: 162224453
• PubChem CID: 27446
• Chemspider ID: 25540
• Unique Ingredient Identifier: 6Z47B07H2H
• Wikipedia Title: Volazocine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5158715
• LogD (pH = 7.4): 0.97818017
• Log P: 4.0066113
• Molar Refractivity: 80.6422 cm^3
• Polarizability: 31.66926 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true