About N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide
N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide (PubChem CID 22954158) has the molecular formula C12H24N2O
and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide.
Molecular Properties
| Compound Name | N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide |
| PubChem CID | 22954158 |
| Molecular Formula | C12H24N2O |
| Molecular Weight | 212.34 g/mol |
| Exact Mass | 212.19 |
| IUPAC Name | N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide |
| SMILES | CCN1CCC(N(CC)C(=O)C(C)C)C1 |
| InChI | InChI=1S/C12H24N2O/c1-5-13-8-7-11(9-13)14(6-2)12(15)10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | UKTSTNIQTXZADI-UHFFFAOYSA-N |
| XLogP | 1.59 |
| TPSA | 23.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.34 |
| LogP ≤ 5 | 1.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide?
The IUPAC name of N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide (CID 22954158) is N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide is CCN1CCC(N(CC)C(=O)C(C)C)C1.
What is the InChIKey of N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide?
The InChIKey is UKTSTNIQTXZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-13-8-7-11(9-13)14(6-2)12(15)10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide?
N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 22954158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).