6-methyl-1,6-diazaspiro[3.5]nonane

• ChemBase ID: 242432
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(CC2(NCC2)CCC1)C
• Canonical SMILES: CN1CCCC2(C1)CCN2
• InChI: InChI=1S/C8H16N2/c1-10-6-2-3-8(7-10)4-5-9-8/h9H,2-7H2,1H3
• InChIKey: SHBFGCUTOICZDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,6-diazaspiro[3.5]nonane
• IUPAC Traditional name: 6-methyl-1,6-diazaspiro[3.5]nonane
• Synonyms: 6-methyl-1,6-diazaspiro[3.5]nonane

Database IDs

• MDL Number: MFCD22578499
• PubChem SID: 164298342
• PubChem CID: 71757023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4623828
• LogD (pH = 7.4): -2.7387538
• Log P: 0.103534095
• Molar Refractivity: 42.7097 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.235

Product Information

• Purity: 95%