2-tert-butyl-7,7-dimethyl-N-(propan-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 596165
• Molecular Formular: C17H29N3
• Molecular Mass: 275.43226
• Monoisotopic Mass: 275.23614794
• SMILES: c12c(nc(nc2)C(C)(C)C)CC(CC1NC(C)C)(C)C
• Canonical SMILES: CC(NC1CC(C)(C)Cc2c1cnc(n2)C(C)(C)C)C
• InChI: InChI=1S/C17H29N3/c1-11(2)19-13-8-17(6,7)9-14-12(13)10-18-15(20-14)16(3,4)5/h10-11,13,19H,8-9H2,1-7H3
• InChIKey: HUPXIYRLGBLRAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-7,7-dimethyl-N-(propan-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-tert-butyl-N-isopropyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 2-tert-butyl-N-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.89129597
• LogD (pH = 7.4): 2.1683195
• Log P: 4.1464143
• Molar Refractivity: 84.2462 cm^3
• Polarizability: 33.13772 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.73
• LOG S: -3.92
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2