6-benzyl-2,6-diazaspiro[4.5]decane

• ChemBase ID: 112988
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(C2(CCNC2)CCCC1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCCCC21CCNC2
• InChI: InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-17-11-5-4-8-15(17)9-10-16-13-15/h1-3,6-7,16H,4-5,8-13H2
• InChIKey: CTORQCPIHLPTDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-benzyl-2,6-diazaspiro[4.5]decane
• IUPAC Traditional name: 6-benzyl-2,6-diazaspiro[4.5]decane
• Synonyms: 6-benzyl-2,6-diazaspiro[4.5]decane

Database IDs

• CAS Number: 1158750-93-6
• PubChem SID: 162097746
• PubChem CID: 71299791

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4984753
• LogD (pH = 7.4): -0.9422047
• Log P: 2.2725759
• Molar Refractivity: 71.9233 cm^3
• Polarizability: 28.551027 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Viscous oil °C

Product Information

• Purity: >97%