7-methyl-5-azaspiro[2.4]heptan-7-amine

• ChemBase ID: 797038
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: C1CC21CNCC2(N)C
• Canonical SMILES: CC1(N)CNCC21CC2
• InChI: InChI=1S/C7H14N2/c1-6(8)4-9-5-7(6)2-3-7/h9H,2-5,8H2,1H3
• InChIKey: SRQMXARNYUNUBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-5-azaspiro[2.4]heptan-7-amine
• IUPAC Traditional name: 7-methyl-5-azaspiro[2.4]heptan-7-amine
• Synonyms: 7-Methyl-5-azaspiro[2.4]heptan-7-aMine

Database IDs

• CAS Number: 1044904-53-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.3538404
• LogD (pH = 7.4): -3.5677822
• Log P: -0.25313452
• Molar Refractivity: 36.8051 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%