dimethyl({3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl})amine

• ChemBase ID: 311255
• Molecular Formular: C18H27N3
• Molecular Mass: 285.42708
• Monoisotopic Mass: 285.22049788
• SMILES: c12[nH]c3c(c1CCCC2NCCCN(C)C)cc(cc3)C
• Canonical SMILES: CN(CCCNC1CCCc2c1[nH]c1c2cc(cc1)C)C
• InChI: InChI=1S/C18H27N3/c1-13-8-9-16-15(12-13)14-6-4-7-17(18(14)20-16)19-10-5-11-21(2)3/h8-9,12,17,19-20H,4-7,10-11H2,1-3H3
• InChIKey: ABYBKVTTZUTOKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl})amine
• IUPAC Traditional name: dimethyl({3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]propyl})amine
• Synonyms: N,N-dimethyl-N'-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine

Database IDs

• CAS Number: 121593-92-8
• MDL Number: MFCD05863691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.485562
• LogD (pH = 7.4): 0.012444063
• Log P: 3.1311762
• Molar Refractivity: 90.3775 cm^3
• Polarizability: 36.222588 Å^3
• Polar Surface Area: 31.06 Å^2