tert-butyl 4-amino-1-azaspiro[5.5]undecane-1-carboxylate

• ChemBase ID: 253700
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: N1(C(=O)OC(C)(C)C)C2(CC(CC1)N)CCCCC2
• Canonical SMILES: NC1CCN(C2(C1)CCCCC2)C(=O)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-7-12(16)11-15(17)8-5-4-6-9-15/h12H,4-11,16H2,1-3H3
• InChIKey: BEMKTJWLESTTEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-amino-1-azaspiro[5.5]undecane-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-amino-1-azaspiro[5.5]undecane-1-carboxylate
• Synonyms: tert-butyl 4-amino-1-azaspiro[5.5]undecane-1-carboxylate

Database IDs

• MDL Number: MFCD09040651
• PubChem SID: 164309610
• PubChem CID: 16228713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9926983
• LogD (pH = 7.4): -0.41181272
• Log P: 2.0245316
• Molar Refractivity: 75.9741 cm^3
• Polarizability: 30.32565 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.872

Product Information

• Purity: 95%