2,5-Dimethylpyrrolidine, (2S,5S)-
Basic information
- CAS
117968-50-0- Standard SMILES
C[C@H]1CC[C@H](C)N1- InChIKey
ZEBFPAXSQXIPNF-WDSKDSINSA-N- Molecular formula
- C6H13N
- Average molar mass
- 99.17 g/mol
- Monoisotopic mass
- 99.10479942
Names & identifiers
- Preferred name
- 2,5-Dimethylpyrrolidine, (2S,5S)-
- IUPAC
- (2S,5S)-2,5-dimethylpyrrolidine
- English name
- (2S,5S)-2,5-Dimethyl-pyrrolidine
- Molecular formula
- C6H13N
- Molecular weight
- 99.17
Names & synonyms
(2S,5S)-2,5-dimethylpyrrolidine117968-50-0(S,s)-2,5-dimethylpyrrolidine(2S,5S)-DimethylpyrrolidineX0N1U8C403(2S-trans)-2,5-Dimethylpyrrolidine2,5-Dimethylpyrrolidine, (2S,5S)-(+)-(2S,5S)-2,5-DimethylpyrrolidinePyrrolidine, 2,5-dimethyl-, (2S,5S)-UNII-X0N1U8C403Pyrrolidine, 2,5-dimethyl-, (2S-trans)-RefChem:197437
Show more names
trans-2,5-dimethylpyrrolidineSCHEMBL92541SCHEMBL6369964ZEBFPAXSQXIPNF-WDSKDSINSA-NDB-257632CS-0197613Q27896111
Database identifiers
- CAS
117968-50-0- PubChem CID
- 6994099
- UNII
- X0N1U8C403
- Nikkaji
- J445.445F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 53.2
Physicochemical properties
- Boiling point
- 106.5 · 106.5±0.0 °C(Predicted)
- Density
- 0.795 · 0.795±0.06 g/cm3(Predicted)
- pka
- 11.36 · 11.36±0.10(Predicted)
- FDA UNII
- 0 N1U8C403 · X0N1U8C403
Related reactions
6 records
Compound notes
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