About N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine
N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine (PubChem CID 89455826) has the molecular formula C36H54N6Si3
and a molecular weight of 655.13 g/mol. Its IUPAC name is N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine.
Molecular Properties
| Compound Name | N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine |
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| PubChem CID | 89455826 |
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| Molecular Formula | C36H54N6Si3 |
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| Molecular Weight | 655.13 g/mol |
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| Exact Mass | 654.37 |
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| IUPAC Name | N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine |
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| SMILES | C[Si](C)(C)N(Cc1ccccc1)N=C1CCC(=NN(Cc2ccccc2)[Si](C)(C)C)C(=NN(Cc2ccccc2)[Si](C)(C)C)C1 |
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| InChI | InChI=1S/C36H54N6Si3/c1-43(2,3)40(28-31-19-13-10-14-20-31)37-34-25-26-35(38-41(44(4,5)6)29-32-21-15-11-16-22-32)36(27-34)39-42(45(7,8)9)30-33-23-17-12-18-24-33/h10-24H,25-30H2,1-9H3 |
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| InChIKey | OBMUXNQKWPUITD-UHFFFAOYSA-N |
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| XLogP | 9.25 |
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| TPSA | 46.80 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 655.13 |
| LogP ≤ 5 | 9.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine?
The IUPAC name of N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine (CID 89455826) is N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine.
What is the SMILES notation for N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine?
The canonical SMILES for N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine is C[Si](C)(C)N(Cc1ccccc1)N=C1CCC(=NN(Cc2ccccc2)[Si](C)(C)C)C(=NN(Cc2ccccc2)[Si](C)(C)C)C1.
What is the InChIKey of N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine?
The InChIKey is OBMUXNQKWPUITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54N6Si3/c1-43(2,3)40(28-31-19-13-10-14-20-31)37-34-25-26-35(38-41(44(4,5)6)29-32-21-15-11-16-22-32)36(27-34)39-42(45(7,8)9)30-33-23-17-12-18-24-33/h10-24H,25-30H2,1-9H3.
What are the key properties of N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine?
N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine has a molecular weight of 655.13 g/mol, XLogP of 9.25, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis[benzyl(trimethylsilyl)hydrazinylidene]cyclohexylidene]amino]-1-phenyl-N-trimethylsilylmethanamine is sourced from PubChem (CID 89455826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).