8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane
TL;DR: 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane (CAS 57269-37-1) is a chemical compound with molecular formula C11H20N2O and molecular weight 196.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)propan-1-one
Also Known As: 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane, 5-23-03-00461 (Beilstein Handbook Reference), 3,8-Diazabicyclo(3.2.1)octane, 8-isobutyryl-3-methyl-, 2-methyl-1-(2-methyl-2,7-diazabicyclo[3.2.1]oct-7-yl)propan-1-one, 2-Methyl-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)propan-1-one
Technical Specifications
| Molecular Formula | C11H20N2O |
| Molecular Weight | 196.15756 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.15756 Da |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
| SMILES | CC(C)C(=O)N1CC2CCN(C1C2)C |
| InChIKey | LAIXLKYAMLKEKK-UHFFFAOYSA-N |
Chemical Property Profile of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane
Property Insights of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane. With a topological polar surface area (TPSA) of 23.6 Ų, 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane?
The CAS number of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane is 57269-37-1.
What is the molecular formula of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane?
The molecular formula of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane is C11H20N2O.
What is the molecular weight of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane?
The molecular weight of 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane is 196.15756 g/mol.
Where can I buy 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane?
You can request a quote for 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane?
Yes, CoreyChem provides custom synthesis services for 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.