2-({3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}methyl)-4,5-dihydro-1H-imidazole

• ChemBase ID: 183719
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: C1(CC2=NCCN2)(OC[C@@]2(CO1)CC=C(CC2)C)C
• Canonical SMILES: CC1=CC[C@@]2(CC1)COC(OC2)(C)CC1=NCCN1
• InChI: InChI=1S/C15H24N2O2/c1-12-3-5-15(6-4-12)10-18-14(2,19-11-15)9-13-16-7-8-17-13/h3H,4-11H2,1-2H3,(H,16,17)/t14?,15-
• InChIKey: SNSDLOXRHHDIIJ-ZVGHLENZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}methyl)-4,5-dihydro-1H-imidazole
• IUPAC Traditional name: 2-({3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}methyl)-4,5-dihydro-1H-imidazole

Database IDs

• PubChem SID: 164239629
• PubChem CID: 3455350

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8344815
• LogD (pH = 7.4): -0.38373047
• Log P: 1.5706865
• Molar Refractivity: 75.3582 cm^3
• Polarizability: 29.178003 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds