TL;DR: (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane (CAS 1516567-29-5) is a chemical compound with molecular formula C16H22N4 and molecular weight 270.18445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)hydrazine
Also Known As: AB00086207-01, (3R,E)-1-benzyl-9-hydrazono-3,6-diazatricyclo[4.3.1.1(3,8)]undecane, (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane, (E)-1-benzyl-9-hydrazono-3,6-diazatricyclo[4.3.1.1(3,8)]undecane
| Molecular Formula | C16H22N4 |
| Molecular Weight | 270.18445 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.18445 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | C1CN2CC\3CN1CC(C2)(/C3=N/N)CC4=CC=CC=C4 |
| InChIKey | MLJGOEPWXHETFZ-OBGWFSINSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane. With a topological polar surface area (TPSA) of 44.9 Ų, (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane is 1516567-29-5.
The molecular formula of (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane is C16H22N4.
The molecular weight of (9E)-1-benzyl-9-hydrazinylidene-3,6-diazatricyclo[4.3.1.1~3,8~]undecane is 270.18445 g/mol.
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