| Canonical Smiles | CCC1(CCNC1)CC |
|---|---|
| IUPAC Name | 3,3-diethylpyrrolidine |
| InChIKey | MHFVZMTVFSGIBV-UHFFFAOYSA-N |
| INCHI | 1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3 |
| Isomeric SMILES | CCC1(CCNC1)CC |
| PubChem CID | 19090605 |
| Molecular Weight | 127.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidines |
| Alternative Parents | Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 127.230 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 127.136 Da |
| Monoisotopic Mass | 127.136 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
