TL;DR: 1-Propanamine, 3-(isooctyloxy)- (CAS 50977-09-8) is a chemical compound with molecular formula C11H25NO and molecular weight 187.19362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6-methylheptoxy)propan-1-amine
Also Known As: 3-Isooctoxypropylamine, 3-(Isooctyloxy)propylamine, 1-Propanamine, 3-(isooctyloxy)-, 3-isooctyloxypropylamine, 3-isooctyloxy propylamine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H25NO |
| Molecular Weight | 187.19362 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 187.19362 Da |
| Heavy Atoms | 13 |
| Complexity | 94.0 |
| SMILES | CC(C)CCCCCOCCCN |
| InChIKey | WNESQTLZVOTCIL-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanamine, 3-(isooctyloxy)-. With a topological polar surface area (TPSA) of 35.3 Ų, 1-Propanamine, 3-(isooctyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanamine, 3-(isooctyloxy)- has 1 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-Propanamine, 3-(isooctyloxy)- is 50977-09-8.
The molecular formula of 1-Propanamine, 3-(isooctyloxy)- is C11H25NO.
The molecular weight of 1-Propanamine, 3-(isooctyloxy)- is 187.19362 g/mol.
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