9-methyl-6-azaspiro[3.5]nonane

• ChemBase ID: 246311
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: C12(C(CCNC1)C)CCC2
• Canonical SMILES: CC1CCNCC21CCC2
• InChI: InChI=1S/C9H17N/c1-8-3-6-10-7-9(8)4-2-5-9/h8,10H,2-7H2,1H3
• InChIKey: RBFKADPKAMWGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-6-azaspiro[3.5]nonane
• IUPAC Traditional name: 9-methyl-6-azaspiro[3.5]nonane
• Synonyms: 9-methyl-6-azaspiro[3.5]nonane

Database IDs

• MDL Number: MFCD23144277
• PubChem SID: 164302221
• PubChem CID: 71757949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5625154
• LogD (pH = 7.4): -1.0866303
• Log P: 1.6683232
• Molar Refractivity: 43.0525 cm^3
• Polarizability: 17.397926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.327

Product Information

• Purity: 95%