6,6-dimethoxy-2-azaspiro[3.3]heptane

• ChemBase ID: 238227
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(CC2(C1)CNC2)(OC)OC
• Canonical SMILES: COC1(OC)CC2(C1)CNC2
• InChI: InChI=1S/C8H15NO2/c1-10-8(11-2)3-7(4-8)5-9-6-7/h9H,3-6H2,1-2H3
• InChIKey: ZPYMJVKELDTLOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-dimethoxy-2-azaspiro[3.3]heptane
• IUPAC Traditional name: 6,6-dimethoxy-2-azaspiro[3.3]heptane
• Synonyms: 6,6-dimethoxy-2-azaspiro[3.3]heptane

Database IDs

• MDL Number: MFCD22391980
• PubChem SID: 164294137
• PubChem CID: 71756121

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3303583
• LogD (pH = 7.4): -2.855533
• Log P: -0.09947827
• Molar Refractivity: 42.0079 cm^3
• Polarizability: 16.927067 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.887

Product Information

• Purity: 95%