TL;DR: 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)- (CAS 111964-33-1) is a chemical compound with molecular formula C14H19N3 and molecular weight 229.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-pyridin-2-yl-1,3-diazaspiro[4.5]dec-2-ene
Also Known As: TT-52-82, 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)-, 1-Methyl-2-(2-pyridyl)-1,3-diazaspiro(4.5)dec-2-ene, 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridinyl)-, 1-Metylo-2-(2-pirydylo)-5,5-pentametyleno-imidazolina
| Molecular Formula | C14H19N3 |
| Molecular Weight | 229.1579 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.1579 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CN1C(=NCC12CCCCC2)C3=CC=CC=N3 |
| InChIKey | VBDCETCMMGIEPF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)-. With a topological polar surface area (TPSA) of 28.5 Ų, 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)- 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 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)- is 111964-33-1.
The molecular formula of 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)- is C14H19N3.
The molecular weight of 1,3-Diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)- is 229.1579 g/mol.
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