TL;DR: Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride (CAS 68716-21-2) is a chemical compound with molecular formula C21H28ClN and molecular weight 329.19104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,4-diphenylcycloheptyl)-dimethylazanium chloride
Also Known As: (4,4-diphenylcycloheptyl)-dimethylazanium chloride, CYCLOHEPTYLAMINE, N,N-DIMETHYL-4,4-DIPHENYL-, HYDROCHLORIDE, N,N-Dimethyl-4,4-diphenylcycloheptylamine hydrochloride, Cycloheptanamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride (10CI), Cycloheptanamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride
| Molecular Formula | C21H28ClN |
| Molecular Weight | 329.19104 g/mol |
| XLogP | 0.45 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.19104 Da |
| Heavy Atoms | 23 |
| Complexity | 305.0 |
| SMILES | C[NH+](C)C1CCCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | PORIPOPUXJTWCL-UHFFFAOYSA-N |
The XLogP value of 0.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride. With a topological polar surface area (TPSA) of 4.4 Ų, Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride has 1 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 Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride is 68716-21-2.
The molecular formula of Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride is C21H28ClN.
The molecular weight of Cycloheptylamine, N,N-dimethyl-4,4-diphenyl-, hydrochloride is 329.19104 g/mol.
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