4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclobutane]-7-amine

• ChemBase ID: 243071
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: C12(C3C(C1N)CCO3)CCC2
• Canonical SMILES: NC1C2CCOC2C21CCC2
• InChI: InChI=1S/C9H15NO/c10-7-6-2-5-11-8(6)9(7)3-1-4-9/h6-8H,1-5,10H2
• InChIKey: XTRAFRAABTWAQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclobutane]-7-amine
• IUPAC Traditional name: 4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclobutane]-7-amine
• Synonyms: 4-oxaspiro[bicyclo[3.2.0]heptane-6,1'-cyclobutane]-7-amine

Database IDs

• MDL Number: MFCD23143989
• PubChem SID: 164298981
• PubChem CID: 71757153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6589599
• LogD (pH = 7.4): -1.9982343
• Log P: 0.3538029
• Molar Refractivity: 42.3074 cm^3
• Polarizability: 17.33736 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.583

Product Information

• Purity: 95%