About tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine
tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine (PubChem CID 11060238) has the molecular formula C24H43N5Si2Ti
and a molecular weight of 505.68 g/mol. Its IUPAC name is tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine.
Molecular Properties
| Compound Name | tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine |
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| PubChem CID | 11060238 |
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| Molecular Formula | C24H43N5Si2Ti |
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| Molecular Weight | 505.68 g/mol |
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| Exact Mass | 505.25 |
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| IUPAC Name | tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine |
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| SMILES | CC(C)(C)N=[Ti+2].CC(C[N-][Si](C)(C)C)(C[N-][Si](C)(C)C)c1ccccn1.c1ccncc1 |
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| InChI | InChI=1S/C15H29N3Si2.C5H5N.C4H9N.Ti/c1-15(12-17-19(2,3)4,13-18-20(5,6)7)14-10-8-9-11-16-14;1-2-4-6-5-3-1;1-4(2,3)5;/h8-11H,12-13H2,1-7H3;1-5H;1-3H3;/q-2;;;+2 |
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| InChIKey | HHIYUUONUFAFSD-UHFFFAOYSA-N |
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| XLogP | 7.35 |
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| TPSA | 66.34 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 505.68 |
| LogP ≤ 5 | 7.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine?
The IUPAC name of tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine (CID 11060238) is tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine.
What is the SMILES notation for tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine?
The canonical SMILES for tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine is CC(C)(C)N=[Ti+2].CC(C[N-][Si](C)(C)C)(C[N-][Si](C)(C)C)c1ccccn1.c1ccncc1.
What is the InChIKey of tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine?
The InChIKey is HHIYUUONUFAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3Si2.C5H5N.C4H9N.Ti/c1-15(12-17-19(2,3)4,13-18-20(5,6)7)14-10-8-9-11-16-14;1-2-4-6-5-3-1;1-4(2,3)5;/h8-11H,12-13H2,1-7H3;1-5H;1-3H3;/q-2;;;+2.
What are the key properties of tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine?
tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine has a molecular weight of 505.68 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine is sourced from PubChem (CID 11060238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).