About N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride
N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride (PubChem CID 157185777) has the molecular formula C25H33Cl2NOSiTi+2
and a molecular weight of 510.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride.
Molecular Properties
| Compound Name | N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride |
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| PubChem CID | 157185777 |
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| Molecular Formula | C25H33Cl2NOSiTi+2 |
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| Molecular Weight | 510.40 g/mol |
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| Exact Mass | 509.12 |
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| IUPAC Name | N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride |
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| SMILES | CN([Si](=O)CC1C(CC(C)(C)c2ccccc2)=Cc2ccccc21)C(C)(C)C.[Cl-].[Cl-].[Ti+4] |
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| InChI | InChI=1S/C25H33NOSi.2ClH.Ti/c1-24(2,3)26(6)28(27)18-23-20(16-19-12-10-11-15-22(19)23)17-25(4,5)21-13-8-7-9-14-21;;;/h7-16,23H,17-18H2,1-6H3;2*1H;/q;;;+4/p-2 |
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| InChIKey | APCHFXRWNAOLKR-UHFFFAOYSA-L |
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| XLogP | 0.19 |
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| TPSA | 20.31 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 510.40 |
| LogP ≤ 5 | 0.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride?
The IUPAC name of N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride (CID 157185777) is N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride.
What is the SMILES notation for N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride?
The canonical SMILES for N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride is CN([Si](=O)CC1C(CC(C)(C)c2ccccc2)=Cc2ccccc21)C(C)(C)C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride?
The InChIKey is APCHFXRWNAOLKR-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H33NOSi.2ClH.Ti/c1-24(2,3)26(6)28(27)18-23-20(16-19-12-10-11-15-22(19)23)17-25(4,5)21-13-8-7-9-14-21;;;/h7-16,23H,17-18H2,1-6H3;2*1H;/q;;;+4/p-2.
What are the key properties of N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride?
N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride has a molecular weight of 510.40 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride is sourced from PubChem (CID 157185777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).