5-azaspiro[2.4]heptane

• ChemBase ID: 273915
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C12(CC1)CNCC2
• Canonical SMILES: C1NCC2(C1)CC2
• InChI: InChI=1S/C6H11N/c1-2-6(1)3-4-7-5-6/h7H,1-5H2
• InChIKey: HOXWESKAHYABGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azaspiro[2.4]heptane
• IUPAC Traditional name: 5-azaspiro[2.4]heptane
• Synonyms: 5-azaspiro[2.4]heptane

Database IDs

• MDL Number: MFCD14581267
• PubChem SID: 164329825
• PubChem CID: 21923103

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7483737
• LogD (pH = 7.4): -2.6456132
• Log P: 0.49216676
• Molar Refractivity: 29.3019 cm^3
• Polarizability: 11.859141 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%