[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl][3-(dimethylamino)propyl]amine

• ChemBase ID: 188618
• Molecular Formular: C22H38N2
• Molecular Mass: 330.55052
• Monoisotopic Mass: 330.30349923
• SMILES: c12c(cc(cc1C(NCCCN(C)C)C)C(C)(C)C)C(CC2)(C)C
• Canonical SMILES: CN(CCCNC(c1cc(cc2c1CCC2(C)C)C(C)(C)C)C)C
• InChI: InChI=1S/C22H38N2/c1-16(23-12-9-13-24(7)8)19-14-17(21(2,3)4)15-20-18(19)10-11-22(20,5)6/h14-16,23H,9-13H2,1-8H3
• InChIKey: PZEUCIVVVWVHAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl][3-(dimethylamino)propyl]amine
• IUPAC Traditional name: [1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethyl][3-(dimethylamino)propyl]amine

Database IDs

• PubChem SID: 164244528
• PubChem CID: 3396601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5197582
• LogD (pH = 7.4): 1.8611257
• Log P: 5.166582
• Molar Refractivity: 107.1801 cm^3
• Polarizability: 41.97217 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds