(6R,8S)-8-ethyl-8-methyl-9-oxa-1,4-diazaspiro[5.5]undecane dihydrochloride

• ChemBase ID: 183187
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: [C@@]12(NCCNC2)C[C@@](OCC1)(CC)C.Cl.Cl
• Canonical SMILES: CC[C@]1(C)OCC[C@@]2(C1)CNCCN2.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11;;/h12-13H,3-9H2,1-2H3;2*1H/t10-,11+;;/m0../s1
• InChIKey: NZRKEAXVJPJZLY-IREPQIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6R,8S)-8-ethyl-8-methyl-9-oxa-1,4-diazaspiro[5.5]undecane dihydrochloride
• IUPAC Traditional name: (6R,8S)-8-ethyl-8-methyl-9-oxa-1,4-diazaspiro[5.5]undecane dihydrochloride

Database IDs

• PubChem SID: 164239097
• PubChem CID: 52993292

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0908828
• LogD (pH = 7.4): -1.9095514
• Log P: 0.37582207
• Molar Refractivity: 57.3949 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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