Basic information
- CAS
23211-28-1- Standard SMILES
CCC1(CC)CN2C3CCC(CC3)N2C1- InChIKey
JKFMALGPUUPSHI-UHFFFAOYSA-N- Molecular formula
- C13H24N2
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.19394877
Names & identifiers
- Preferred name
- 5,8-Ethano-1H-pyrazolo(1,2-a)pyridazine, 2,2-diethylhexahydro-
- IUPAC
- 4,4-diethyl-2,6-diazatricyclo[5.2.2.02,6]undecane
Names & synonyms
5,8-Ethano-1H-pyrazolo(1,2-a)pyridazine, 2,2-diethylhexahydro-23211-28-15,8-Ethano-1H-pyrazolo[1,2-a]pyridazine, 2,2-diethylhexahydro-DTXSID501777912,2-Diethyl-hexahydro-5,8-ethano-pyrazolo[1,2-a]pyridazine2,2-diethylhexahydro-1H-5,8-ethanopyrazolo[1,2-a]pyridazine
Database identifiers
- CAS
23211-28-1- PubChem CID
- 141014
- DTXSID
DTXSID50177791
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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