1-azaspiro[3.3]heptane

• ChemBase ID: 284312
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: N1C2(CC1)CCC2
• Canonical SMILES: C1CC2(C1)CCN2
• InChI: InChI=1S/C6H11N/c1-2-6(3-1)4-5-7-6/h7H,1-5H2
• InChIKey: YKNUXXRRPRLOBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azaspiro[3.3]heptane
• IUPAC Traditional name: 1-azaspiro[3.3]heptane
• Synonyms: 1-azaspiro[3.3]heptane

Database IDs

• MDL Number: MFCD19687337
• PubChem SID: 180669843
• PubChem CID: 54595944

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7079163
• LogD (pH = 7.4): -2.4444323
• Log P: 0.5294582
• Molar Refractivity: 29.2916 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%