8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecane

• ChemBase ID: 183556
• Molecular Formular: C12H23NO
• Molecular Mass: 197.31712
• Monoisotopic Mass: 197.17796436
• SMILES: C1(OCCC2(C1)CNCCC2)(CC)C
• Canonical SMILES: CCC1(C)OCCC2(C1)CCCNC2
• InChI: InChI=1S/C12H23NO/c1-3-11(2)9-12(6-8-14-11)5-4-7-13-10-12/h13H,3-10H2,1-2H3
• InChIKey: YGCDDSBUNPZULH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecane
• IUPAC Traditional name: 8-ethyl-8-methyl-9-oxa-2-azaspiro[5.5]undecane

Database IDs

• PubChem SID: 164239466
• PubChem CID: 3731065

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4345891
• LogD (pH = 7.4): -0.9951664
• Log P: 1.7976191
• Molar Refractivity: 58.8354 cm^3
• Polarizability: 23.599113 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds