(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonane

• ChemBase ID: 309929
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C[C@@H]2CC[C@H]1CNC2)C
• Canonical SMILES: CN1C[C@H]2CNC[C@@H]1CC2
• InChI: InChI=1S/C8H16N2/c1-10-6-7-2-3-8(10)5-9-4-7/h7-9H,2-6H2,1H3/t7-,8+/m1/s1
• InChIKey: YMTUWYHKZORWRX-SFYZADRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonane
• IUPAC Traditional name: (1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonane
• Synonyms: rac-(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.2]nonane

Database IDs

• MDL Number: MFCD21364402

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.380279
• LogD (pH = 7.4): -2.5655975
• Log P: 0.22432725
• Molar Refractivity: 42.5649 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2