8-benzyl-1,8-diazaspiro[4.5]decane

• ChemBase ID: 799733
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1CCCC21CCN(CC2)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCC2(CC1)CCCN2
• InChI: InChI=1S/C15H22N2/c1-2-5-14(6-3-1)13-17-11-8-15(9-12-17)7-4-10-16-15/h1-3,5-6,16H,4,7-13H2
• InChIKey: SFMBBIDDGLYJEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-benzyl-1,8-diazaspiro[4.5]decane
• Synonyms: 8-benzyl-1,8-diazaspiro[4.5]decane

Database IDs

• CAS Number: 928034-30-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8771842
• LogD (pH = 7.4): -1.4566005
• Log P: 1.887967
• Molar Refractivity: 72.1877 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: 97%