TL;DR: [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride (CAS 113590-49-1) is a chemical compound with molecular formula C10H17ClN2O2 and molecular weight 232.09785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride
Also Known As: CI 969
| Molecular Formula | C10H17ClN2O2 |
| Molecular Weight | 232.09785 g/mol |
| XLogP | 1.6091 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.09785 Da |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
| SMILES | CC(=NOC(=O)C)C1=CCCN(C1)C.Cl |
| InChIKey | FYMKDNVBERQWSC-UHFFFAOYSA-N |
The XLogP value of 1.6091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride. With a topological polar surface area (TPSA) of 41.9 Ų, [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride is 113590-49-1.
The molecular formula of [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride is C10H17ClN2O2.
The molecular weight of [1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate;hydrochloride is 232.09785 g/mol.
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