TL;DR: 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane (CAS 1005258-37-6) is a chemical compound with molecular formula C8H15N and molecular weight 125.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-1-azabicyclo[2.2.1]heptane
Also Known As: 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane, 2,5-dimethyl-1-azabicyclo[2.2.1]heptane, 1-Azabicyclo[2.2.1]heptane, 2,5-dimethyl-
| Molecular Formula | C8H15N |
| Molecular Weight | 125.12045 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.12045 Da |
| Heavy Atoms | 9 |
| Complexity | 122.0 |
| SMILES | CC1CC2CN1CC2C |
| InChIKey | TXJYBLQMWBOKGQ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane. With a topological polar surface area (TPSA) of 3.2 Ų, 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane is 1005258-37-6.
The molecular formula of 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane is C8H15N.
The molecular weight of 2,5-Dimethyl-1-aza-bicyclo[2.2.1]heptane is 125.12045 g/mol.
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