2-benzyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 287833
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(Cc2ccccc2)CC2(CNCCC2)CC1
• Canonical SMILES: C1CCC2(CN1)CCN(C2)Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c1-2-5-14(6-3-1)11-17-10-8-15(13-17)7-4-9-16-12-15/h1-3,5-6,16H,4,7-13H2
• InChIKey: YLMCYUHQYITSIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-benzyl-2,7-diazaspiro[4.5]decane
• Synonyms: 2-Benzyl-2,7-diazaspiro[4.5]decane

Database IDs

• CAS Number: 1086395-71-2
• MDL Number: MFCD11223500
• PubChem SID: 180673364
• PubChem CID: 46835435

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7438834
• LogD (pH = 7.4): -1.544891
• Log P: 2.079377
• Molar Refractivity: 72.0876 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%