2-benzyl-2-azaspiro[4.4]nonan-6-amine

• ChemBase ID: 282821
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: C12(CN(Cc3ccccc3)CC1)C(N)CCC2
• Canonical SMILES: NC1CCCC21CCN(C2)Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c16-14-7-4-8-15(14)9-10-17(12-15)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
• InChIKey: XSLBNUDXCRSMOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2-azaspiro[4.4]nonan-6-amine
• IUPAC Traditional name: 2-benzyl-2-azaspiro[4.4]nonan-6-amine
• Synonyms: 2-benzyl-2-azaspiro[4.4]nonan-6-amine

Database IDs

• MDL Number: MFCD20441690
• PubChem SID: 180668352
• PubChem CID: 54595537

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9181988
• LogD (pH = 7.4): -1.8257769
• Log P: 2.1511323
• Molar Refractivity: 71.5842 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.583

Product Information

• Purity: 95%