(cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine

• ChemBase ID: 127795
• Molecular Formular: C23H29N
• Molecular Mass: 319.48306
• Monoisotopic Mass: 319.22999993
• SMILES: N(C(c1ccccc1)(CC)C/C=C/c1ccccc1)(C)CC1CC1
• Canonical SMILES: CCC(c1ccccc1)(N(CC1CC1)C)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3
• InChIKey: VCZSWYIFCKGTJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine
• IUPAC Traditional name: (cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine
• Synonyms: Igmesine

Database IDs

• CAS Number: 140850-73-3
• PubChem SID: 162222113
• PubChem CID: 6438340
• Chemspider ID: 4942823
• Unique Ingredient Identifier: XA3745J38K
• Wikipedia Title: Igmesine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6881654
• LogD (pH = 7.4): 3.0871072
• Log P: 6.181136
• Molar Refractivity: 105.0613 cm^3
• Polarizability: 40.967697 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false