TL;DR: Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl- (CAS 58256-56-7) is a chemical compound with molecular formula C12H21NO and molecular weight 195.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(dimethylamino)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Also Known As: 10-Dimethylamino-2-bornanone, 10-Dimethylamino-2-bornanon, 2-BORNANONE, 10-DIMETHYLAMINO-, Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl-, 1-[(dimethylamino)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
| Molecular Formula | C12H21NO |
| Molecular Weight | 195.16231 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.16231 Da |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
| SMILES | CC1(C2CCC1(C(=O)C2)CN(C)C)C |
| InChIKey | FAIBLLHIVFOTHG-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl-. With a topological polar surface area (TPSA) of 20.3 Ų, Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl- 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 Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl- is 58256-56-7.
The molecular formula of Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl- is C12H21NO.
The molecular weight of Bicyclo(2.2.1)heptan-2-one, 1-((dimethylamino)methyl)-7,7-dimethyl- is 195.16231 g/mol.
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