Basic information
- CAS
5344-08-1- Standard SMILES
CCC12CC3CC(C1)CC(C(=O)N/N=C1/CN4CCC1CC4)(C3)C2.Cl- InChIKey
PKZHJOPDRFYHCH-BMEBGVJCSA-N- Molecular formula
- C20H32ClN3O
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.2233903
Names & identifiers
- Preferred name
- N-[(E)-1-Azabicyclo[2.2.2]octan-3-ylideneamino]-3-ethyladamantane-1-carboxamide;hydrochloride
- IUPAC
- N-[(E)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-3-ethyladamantane-1-carboxamide;hydrochloride
Names & synonyms
5344-08-1BIM-0018444.P001N-[(E)-1-Azabicyclo[2.2.2]octan-3-ylideneamino]-3-ethyladamantane-1-carboxamide;hydrochlorideDTXSID60416800CCG-6750N'-[(3E)-1-Azabicyclo[2.2.2]octan-3-ylidene]-3-ethyladamantane-1-carbohydrazide--hydrogen chloride (1/1)
Database identifiers
- CAS
5344-08-1- PubChem CID
- 5338945
- DTXSID
DTXSID60416800
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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