TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl- (CAS 63978-00-7) is a chemical compound with molecular formula C15H29N3O and molecular weight 267.23105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[2-(diethylamino)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Also Known As: 5-23-03-00472 (Beilstein Handbook Reference), 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl-, 3-(2-(Diethylamino)ethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane, 1-{3-[2-(diethylamino)ethyl]-3,8-diazabicyclo[3.2.1]oct-8-yl}propan-1-one, 1-{3-[2-(DIETHYLAMINO)ETHYL]-3,8-DIAZABICYCLO[3.2.1]OCTAN-8-YL}PROPAN-1-ONE
| Molecular Formula | C15H29N3O |
| Molecular Weight | 267.23105 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.23105 Da |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
| SMILES | CCC(=O)N1C2CCC1CN(C2)CCN(CC)CC |
| InChIKey | ZUCYWASRHXWLPN-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl-. With a topological polar surface area (TPSA) of 26.8 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl- is 63978-00-7.
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl- is C15H29N3O.
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-(diethylamino)ethyl)-8-propionyl- is 267.23105 g/mol.
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