8,8-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecane

• ChemBase ID: 182526
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C12(NCCNC2)CC(OCC1)(C)C
• Canonical SMILES: CC1(C)OCCC2(C1)CNCCN2
• InChI: InChI=1S/C10H20N2O/c1-9(2)7-10(3-6-13-9)8-11-4-5-12-10/h11-12H,3-8H2,1-2H3
• InChIKey: SRORHJOLXOKEPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,8-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecane
• IUPAC Traditional name: 8,8-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecane

Database IDs

• PubChem SID: 164238436
• PubChem CID: 3837774

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6135392
• LogD (pH = 7.4): -2.4322429
• Log P: -0.14670032
• Molar Refractivity: 52.8709 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds