TL;DR: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate (CAS 1179421-55-6) is a chemical compound with molecular formula C15H23NO6 and molecular weight 313.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
Also Known As: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate, 1-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)methanamine; oxalic acid, IUPAC: 1-(2,2-dimethyloxan-4-yl)-N-(2-furylmethyl)methanamine; Oxalic Acid
| Molecular Formula | C15H23NO6 |
| Molecular Weight | 313.15253 g/mol |
| XLogP | 1.73 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.15253 Da |
| Heavy Atoms | 22 |
| Complexity | 290.0 |
| SMILES | CC1(CC(CCO1)CNCC2=CC=CO2)C.C(=O)(C(=O)O)O |
| InChIKey | DVPLFNUXOYXOPB-UHFFFAOYSA-N |
The XLogP value of 1.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate. Following Lipinski's Rule of Five, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate is 1179421-55-6.
The molecular formula of 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate is C15H23NO6.
The molecular weight of 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)methanamine oxalate is 313.15253 g/mol.
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