N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

• ChemBase ID: 292359
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: CN(C)C1CCC2(CC1)OCCO2
• Canonical SMILES: CN(C1CCC2(CC1)OCCO2)C
• InChI: InChI=1S/C10H19NO2/c1-11(2)9-3-5-10(6-4-9)12-7-8-13-10/h9H,3-8H2,1-2H3
• InChIKey: KJFJEQJSOHNDEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
• IUPAC Traditional name: N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
• Synonyms: N,N-Dimethyl-1,4-dioxaspiro[4.5]decan-8-amine

Database IDs

• CAS Number: 176661-76-0
• PubChem SID: 180677890
• PubChem CID: 361167

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4044616
• LogD (pH = 7.4): -1.6526291
• Log P: 1.0703626
• Molar Refractivity: 51.8933 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%