(4-{8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl}but-2-yn-1-yl)dimethylamine dihydrochloride

• ChemBase ID: 181090
• Molecular Formular: C18H34Cl2N2O
• Molecular Mass: 365.38136
• Monoisotopic Mass: 364.20481908
• SMILES: C(#CCN(C)C)CN1CC2(CC(OCC2)(CC)C)CCC1.Cl.Cl
• Canonical SMILES: CCC1(C)OCCC2(C1)CCCN(C2)CC#CCN(C)C.Cl.Cl
• InChI: InChI=1S/C18H32N2O.2ClH/c1-5-17(2)15-18(10-14-21-17)9-8-13-20(16-18)12-7-6-11-19(3)4;;/h5,8-16H2,1-4H3;2*1H
• InChIKey: YZDFFONNWXIIKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-{8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl}but-2-yn-1-yl)dimethylamine dihydrochloride
• IUPAC Traditional name: (4-{8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl}but-2-yn-1-yl)dimethylamine dihydrochloride

Database IDs

• PubChem SID: 164237000
• PubChem CID: 52993152

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.567135
• LogD (pH = 7.4): 0.8289974
• Log P: 2.6731555
• Molar Refractivity: 90.7126 cm^3
• Polarizability: 35.089855 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl
• Classification: Rare Derivatives of Natural Compounds