decahydroquinoxaline

• ChemBase ID: 274078
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1C2C(NCC1)CCCC2
• Canonical SMILES: C1CCC2C(C1)NCCN2
• InChI: InChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2
• InChIKey: MDEXMBGPIZUUBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydroquinoxaline
• IUPAC Traditional name: decahydroquinoxaline
• Synonyms: decahydroquinoxaline

Database IDs

• MDL Number: MFCD00092162
• PubChem SID: 164329988
• PubChem CID: 17906435

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.835692
• LogD (pH = 7.4): -1.6871825
• Log P: 0.6856621
• Molar Refractivity: 41.5322 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.052

Product Information

• Purity: 95%