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

• ChemBase ID: 436452
• Molecular Formular: C18H29N3
• Molecular Mass: 287.44296
• Monoisotopic Mass: 287.23614794
• SMILES: c12c(nc(nc2)C(C)(C)C)CC(CC1NCC1CC1)(C)C
• Canonical SMILES: CC1(C)CC(NCC2CC2)c2c(C1)nc(nc2)C(C)(C)C
• InChI: InChI=1S/C18H29N3/c1-17(2,3)16-20-11-13-14(19-10-12-6-7-12)8-18(4,5)9-15(13)21-16/h11-12,14,19H,6-10H2,1-5H3
• InChIKey: GXEMERWGDQMRFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8535182
• LogD (pH = 7.4): 2.0164664
• Log P: 4.139595
• Molar Refractivity: 87.0208 cm^3
• Polarizability: 34.246704 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.87
• LOG S: -4.14
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 4