TL;DR: Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide (CAS 102571-36-8) is a chemical compound with molecular formula C17H32INO and molecular weight 393.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-adamantyloxy)propyl-ethyl-dimethylazanium iodide
Also Known As: 1-(3-(Dimethylamino)propoxy)adamantane ethyl iodide, Adamantane, 1-(3-(dimethylamino)propoxy)-, ethyl iodide, 2-(1-adamantyloxy)propyl-ethyl-dimethylazanium iodide, 2-(1-adamantyloxy)propyl-ethyl-dimethylazanium;iodide, AMMONIUM, (2-(1-ADAMANTYLOXY)PROPYL)DIMETHYLETHYL-, IODIDE
| Molecular Formula | C17H32INO |
| Molecular Weight | 393.15286 g/mol |
| XLogP | 0.46 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.15286 Da |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
| SMILES | CC[N+](C)(C)CC(C)OC12CC3CC(C1)CC(C3)C2.[I-] |
| InChIKey | DAEWYFHVVJQUMX-UHFFFAOYSA-M |
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide. With a topological polar surface area (TPSA) of 9.2 Ų, Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide is 102571-36-8.
The molecular formula of Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide is C17H32INO.
The molecular weight of Ammonium, (2-(1-adamantyloxy)propyl)dimethylethyl-, iodide is 393.15286 g/mol.
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