dimethyl(2-methyl-2-{9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}propyl)amine

• ChemBase ID: 181415
• Molecular Formular: C16H29NO2
• Molecular Mass: 267.40696
• Monoisotopic Mass: 267.21982917
• SMILES: C(C1OC[C@]2(CO1)CC=C(CC2)C)(CN(C)C)(C)C
• Canonical SMILES: CN(CC(C1OC[C@]2(CO1)CCC(=CC2)C)(C)C)C
• InChI: InChI=1S/C16H29NO2/c1-13-6-8-16(9-7-13)11-18-14(19-12-16)15(2,3)10-17(4)5/h6,14H,7-12H2,1-5H3/t14?,16-
• InChIKey: VSLOIWINQDQAPA-WKHZBYLOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-methyl-2-{9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}propyl)amine
• IUPAC Traditional name: dimethyl(2-methyl-2-{9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}propyl)amine

Database IDs

• PubChem SID: 164237325
• PubChem CID: 547337

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.23763476
• LogD (pH = 7.4): 1.2301493
• Log P: 3.0652611
• Molar Refractivity: 79.4925 cm^3
• Polarizability: 31.414396 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds