tert-butyl N-{7-azaspiro[3.5]nonan-2-yl}carbamate

• ChemBase ID: 287947
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: O=C(OC(C)(C)C)NC1CC2(CCNCC2)C1
• Canonical SMILES: O=C(OC(C)(C)C)NC1CC2(C1)CCNCC2
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10-8-13(9-10)4-6-14-7-5-13/h10,14H,4-9H2,1-3H3,(H,15,16)
• InChIKey: UXSKWUIJYPVHKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-{7-azaspiro[3.5]nonan-2-yl}carbamate
• IUPAC Traditional name: tert-butyl N-{7-azaspiro[3.5]nonan-2-yl}carbamate
• Synonyms: tert-Butyl 7-azaspiro[3.5]nonan-2-ylcarbamate

Database IDs

• CAS Number: 147611-03-8
• PubChem SID: 180673478
• PubChem CID: 15282182

CALCULATED PROPERTIES

• Acid pKa: 15.328277
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.007049
• LogD (pH = 7.4): -1.5338318
• Log P: 1.2238936
• Molar Refractivity: 66.8579 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%