N,N-dimethyl-4-{[(1E)-2-(morpholin-4-yl)cyclopent-2-en-1-ylidene]methyl}aniline

• ChemBase ID: 229138
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: C1(=CCC/C/1=C\c1ccc(N(C)C)cc1)N1CCOCC1
• Canonical SMILES: CN(c1ccc(cc1)/C=C/1\CCC=C1N1CCOCC1)C
• InChI: InChI=1S/C18H24N2O/c1-19(2)17-8-6-15(7-9-17)14-16-4-3-5-18(16)20-10-12-21-13-11-20/h5-9,14H,3-4,10-13H2,1-2H3/b16-14+
• InChIKey: WGMNUQUKRBYPGL-JQIJEIRASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-{[(1E)-2-(morpholin-4-yl)cyclopent-2-en-1-ylidene]methyl}aniline
• IUPAC Traditional name: N,N-dimethyl-4-{[(1E)-2-(morpholin-4-yl)cyclopent-2-en-1-ylidene]methyl}aniline
• Synonyms: Dimethyl-[4-(2-morpholin-4-yl-cyclopent-2-enylidenemethyl)-phenyl]-amine

Database IDs

• MDL Number: MFCD02691128
• PubChem SID: 164285048
• PubChem CID: 2326777

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6941965
• LogD (pH = 7.4): 2.745041
• Log P: 2.8005779
• Molar Refractivity: 91.3384 cm^3
• Polarizability: 33.546017 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%