dimethyl({2-methyl-2-[(10R)-8-oxatricyclo[8.4.0.02,7]tetradec-1(14)-en-9-yl]propyl})amine

• ChemBase ID: 185461
• Molecular Formular: C19H33NO
• Molecular Mass: 291.47142
• Monoisotopic Mass: 291.25621468
• SMILES: C12=CCCC[C@H]1C(OC1C2CCCC1)C(CN(C)C)(C)C
• Canonical SMILES: CN(CC(C1OC2CCCCC2C2=CCCC[C@@H]12)(C)C)C
• InChI: InChI=1S/C19H33NO/c1-19(2,13-20(3)4)18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)21-18/h9,15-18H,5-8,10-13H2,1-4H3/t15?,16-,17?,18?/m1/s1
• InChIKey: HCPHZQAJVVJZLU-JYJOREJMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-methyl-2-[(10R)-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-en-9-yl]propyl})amine
• IUPAC Traditional name: dimethyl({2-methyl-2-[(10R)-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-en-9-yl]propyl})amine

Database IDs

• PubChem SID: 164241371
• PubChem CID: 16396300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.65600765
• LogD (pH = 7.4): 1.939411
• Log P: 4.041699
• Molar Refractivity: 89.9517 cm^3
• Polarizability: 35.54369 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds