dimethyl(3-{2-methylidene-9-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl}propyl)amine

• ChemBase ID: 127258
• Molecular Formular: C20H24N2
• Molecular Mass: 292.41796
• Monoisotopic Mass: 292.19394878
• SMILES: c1cc2c(C(=C)c3c(cccc3)CN2CCCN(C)C)cc1
• Canonical SMILES: CN(CCCN1Cc2ccccc2C(=C)c2c1cccc2)C
• InChI: InChI=1S/C20H24N2/c1-16-18-10-5-4-9-17(18)15-22(14-8-13-21(2)3)20-12-7-6-11-19(16)20/h4-7,9-12H,1,8,13-15H2,2-3H3
• InChIKey: VXCSCOXOGWUYKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-methylidene-9-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl}propyl)amine
• IUPAC Traditional name: enprazepine
• Synonyms: Enprazepine

Database IDs

• CAS Number: 47206-15-5
• PubChem SID: 162221579
• PubChem CID: 208922
• Chemspider ID: 181018
• Unique Ingredient Identifier: L2H26JSV0I
• Wikipedia Title: Enprazepine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.72593397
• LogD (pH = 7.4): 2.0925233
• Log P: 4.081022
• Molar Refractivity: 105.1647 cm^3
• Polarizability: 36.51737 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true