2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 687159
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: c12c(nc(nc2)C(C)(C)C)CC(CC1N)(C)C
• Canonical SMILES: NC1CC(C)(C)Cc2c1cnc(n2)C(C)(C)C
• InChI: InChI=1S/C14H23N3/c1-13(2,3)12-16-8-9-10(15)6-14(4,5)7-11(9)17-12/h8,10H,6-7,15H2,1-5H3
• InChIKey: NFOGQDOVCSGZTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 2-tert-butyl-7,7-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.088856414
• LogD (pH = 7.4): 1.2315643
• Log P: 2.9942346
• Molar Refractivity: 70.3042 cm^3
• Polarizability: 27.60188 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.17
• LOG S: -1.75
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1