Pyrrolidine, 2-ethyl-5-heptyl-, trans-
Basic information
- CAS
95018-46-5- Standard SMILES
CCCCCCC[C@@H]1CC[C@@H](CC)N1- InChIKey
FDMPRHCJRYHIBI-CHWSQXEVSA-N- Molecular formula
- C13H27N
- Average molar mass
- 197.36 g/mol
- Monoisotopic mass
- 197.21434987
Names & identifiers
- Preferred name
- Pyrrolidine, 2-ethyl-5-heptyl-, trans-
- IUPAC
- (2R,5R)-2-ethyl-5-heptylpyrrolidine
Names & synonyms
Pyrrolidine, 2-ethyl-5-heptyl-, trans-95018-46-5
Database identifiers
- CAS
95018-46-5- PubChem CID
- 185380
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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