Basic information
- CAS
7498-36-4- Standard SMILES
CC1CCC(C)N1CC#CCN1C(C)CCC1C- InChIKey
ZOBJQBSGGXBNDB-UHFFFAOYSA-N- Molecular formula
- C16H28N2
- Average molar mass
- 248.41 g/mol
- Monoisotopic mass
- 248.2252489
Names & identifiers
- Preferred name
- 1,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)
- IUPAC
- 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethylpyrrolidine
Names & synonyms
7498-36-4NSC4074351,1'-(But-2-yne-1,4-diyl)bis(2,5-dimethylpyrrolidine)DTXSID70324664NSC-407435
Database identifiers
- CAS
7498-36-4- PubChem CID
- 348248
- DTXSID
DTXSID70324664
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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