N2-benzyl-N2,7,7-trimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine

• ChemBase ID: 588950
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: c1(nc2c(C(CC(C2)(C)C)N)cn1)N(Cc1ccccc1)C
• Canonical SMILES: CN(c1ncc2c(n1)CC(CC2N)(C)C)Cc1ccccc1
• InChI: InChI=1S/C18H24N4/c1-18(2)9-15(19)14-11-20-17(21-16(14)10-18)22(3)12-13-7-5-4-6-8-13/h4-8,11,15H,9-10,12,19H2,1-3H3
• InChIKey: SNRSDTUMXCZSRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2-benzyl-N2,7,7-trimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
• IUPAC Traditional name: N2-benzyl-N2,7,7-trimethyl-6,8-dihydro-5H-quinazoline-2,5-diamine
• Synonyms: N~2~-benzyl-N~2~,7,7-trimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.17849135
• LogD (pH = 7.4): 1.3022114
• Log P: 3.136582
• Molar Refractivity: 90.9646 cm^3
• Polarizability: 34.736485 Å^3
• Polar Surface Area: 55.04 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: 3.84
• LOG S: -3.63
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3