N-[(9-ethyl-9H-carbazol-3-yl)methyl]cyclopentanamine

• ChemBase ID: 311079
• Molecular Formular: C20H24N2
• Molecular Mass: 292.41796
• Monoisotopic Mass: 292.19394878
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)CNC1CCCC1)CC
• Canonical SMILES: CCn1c2ccc(cc2c2c1cccc2)CNC1CCCC1
• InChI: InChI=1S/C20H24N2/c1-2-22-19-10-6-5-9-17(19)18-13-15(11-12-20(18)22)14-21-16-7-3-4-8-16/h5-6,9-13,16,21H,2-4,7-8,14H2,1H3
• InChIKey: XEPWTBDKWKGXPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(9-ethyl-9H-carbazol-3-yl)methyl]cyclopentanamine
• IUPAC Traditional name: N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine
• Synonyms: N-[(9-ethyl-9H-carbazol-3-yl)methyl]cyclopentanamine

Database IDs

• CAS Number: 352652-37-0
• MDL Number: MFCD01164041

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.36308
• LogD (pH = 7.4): 2.0295384
• Log P: 4.58442
• Molar Refractivity: 92.7787 cm^3
• Polarizability: 38.726364 Å^3
• Polar Surface Area: 16.96 Å^2