TL;DR: 1-Ethyl-1-methylpyrrolidinium (CAS 15302-90-6) is a chemical compound with molecular formula C7H16N+ and molecular weight 114.12827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-1-methylpyrrolidin-1-ium
Also Known As: 1-ethyl-1-methylpyrrolidinium, 1-ethyl-1-methylpyrrolidin-1-ium, n-ethyl-n-methylpyrrolidinium, Pyrrolidinium, 1-ethyl-1-methyl-, 1-methyl-1-ethylpyrrolidinium
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H16N+ |
| Molecular Weight | 114.12827 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.12827 Da |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| SMILES | CC[N+]1(CCCC1)C |
| InChIKey | NIHOUJYFWMURBG-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-1-methylpyrrolidinium. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-1-methylpyrrolidinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-1-methylpyrrolidinium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Ethyl-1-methylpyrrolidinium is 15302-90-6.
The molecular formula of 1-Ethyl-1-methylpyrrolidinium is C7H16N+.
The molecular weight of 1-Ethyl-1-methylpyrrolidinium is 114.12827 g/mol.
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