6-methyl-1,6-diazaspiro[3.4]octane

• ChemBase ID: 242430
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N1(CC2(NCC2)CC1)C
• Canonical SMILES: CN1CCC2(C1)CCN2
• InChI: InChI=1S/C7H14N2/c1-9-5-3-7(6-9)2-4-8-7/h8H,2-6H2,1H3
• InChIKey: SLWQLQJAJSUMNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,6-diazaspiro[3.4]octane
• IUPAC Traditional name: 6-methyl-1,6-diazaspiro[3.4]octane
• Synonyms: 6-methyl-1,6-diazaspiro[3.4]octane

Database IDs

• MDL Number: MFCD12406512
• PubChem SID: 164298340
• PubChem CID: 68237458

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9168591
• LogD (pH = 7.4): -3.194177
• Log P: -0.41382858
• Molar Refractivity: 38.0651 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.324

Product Information

• Purity: 95%