[(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
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Basic information
- CAS
475160-62-4- Standard SMILES
C#C[C@H]1CN2CC[C@H]1C[C@@H]2CN- InChIKey
ODNMVGKEGJTFJO-LPEHRKFASA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Names & identifiers
- Preferred name
- [(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
- IUPAC
- [(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
- English name
- 1-Azabicyclo[2.2.2]octane-2-methanamine,5-ethynyl-,(1S,2R,4S,5S)-(9CI)
- Molecular formula
- C10H16N2
- Molecular weight
- 0
Names & synonyms
475160-62-4DTXSID701174025(1S,2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]octane-2-methanamine1-[(1S,2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine1-Azabicyclo[2.2.2]octane-2-methanamine,5-ethynyl-,(1S,2R,4S,5S)-(9CI)
Database identifiers
- CAS
475160-62-4- PubChem CID
- 11943538
- DTXSID
DTXSID701174025- EC Number
- 610-360-6
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
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Compound notes
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