[(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl]dimethylamine

• ChemBase ID: 309518
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: [C@H]1([C@@H]2[C@H]1CNC2)CN(C)C
• Canonical SMILES: CN(C[C@@H]1[C@@H]2[C@H]1CNC2)C
• InChI: InChI=1S/C8H16N2/c1-10(2)5-8-6-3-9-4-7(6)8/h6-9H,3-5H2,1-2H3/t6-,7+,8+
• InChIKey: HEKRAZZYXOMTOL-JIGDXULJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl]dimethylamine
• IUPAC Traditional name: [(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-ylmethyl]dimethylamine
• Synonyms: rac-1-[(1R,5S,6r)-3-azabicyclo[3.1.0]hex-6-yl]-N,N-dimethylmethanamine

Database IDs

• MDL Number: MFCD18917019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -7.0083675
• LogD (pH = 7.4): -5.8369694
• Log P: -0.32838917
• Molar Refractivity: 42.9015 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2