2,3,6,7,8-pentamethyl-2,7-diazatricyclo[6.2.1.01,5]undeca-3,5-diene

• ChemBase ID: 228041
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: C12=C(N(C3(CC1(N(C(=C2)C)C)CC3)C)C)C
• Canonical SMILES: CC1=CC2=C(C)N(C3(CC2(N1C)CC3)C)C
• InChI: InChI=1S/C14H22N2/c1-10-8-12-11(2)16(5)13(3)6-7-14(12,9-13)15(10)4/h8H,6-7,9H2,1-5H3
• InChIKey: OPQPFEQHBYUFBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6,7,8-pentamethyl-2,7-diazatricyclo[6.2.1.0^1,^5]undeca-3,5-diene
• IUPAC Traditional name: 2,3,6,7,8-pentamethyl-2,7-diazatricyclo[6.2.1.0^1,^5]undeca-3,5-diene

Database IDs

• PubChem SID: 164283951
• PubChem CID: 66485608

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.5474005
• LogD (pH = 7.4): -1.4761456
• Log P: 1.0540522
• Molar Refractivity: 71.4426 cm^3
• Polarizability: 26.133333 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds