2-benzyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 244200
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(CC2(CC1)CCNCC2)Cc1ccccc1
• Canonical SMILES: N1CCC2(CC1)CCN(C2)Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c1-2-4-14(5-3-1)12-17-11-8-15(13-17)6-9-16-10-7-15/h1-5,16H,6-13H2
• InChIKey: XTNWFMYRGJBRAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-benzyl-2,8-diazaspiro[4.5]decane
• Synonyms: 2-benzyl-2,8-diazaspiro[4.5]decane

Database IDs

• CAS Number: 867009-61-8
• MDL Number: MFCD11109550
• PubChem SID: 164300110
• PubChem CID: 22975675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7527704
• LogD (pH = 7.4): -3.2598
• Log P: 1.9234695
• Molar Refractivity: 72.2416 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.182

Product Information

• Purity: 95%; 95+%; 97%