About 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine
3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine (PubChem CID 171623488) has the molecular formula C20H51N3O7Si3
and a molecular weight of 529.90 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine.
Molecular Properties
| Compound Name | 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine |
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| PubChem CID | 171623488 |
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| Molecular Formula | C20H51N3O7Si3 |
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| Molecular Weight | 529.90 g/mol |
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| Exact Mass | 529.30 |
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| IUPAC Name | 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine |
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| SMILES | CO[Si](CCCN(C)C)(OC)O[Si](CCCN(C)C)(OC)O[Si](CCCN(C)C)(OC)OC |
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| InChI | InChI=1S/C20H51N3O7Si3/c1-21(2)15-12-18-31(24-7,25-8)29-33(28-11,20-14-17-23(5)6)30-32(26-9,27-10)19-13-16-22(3)4/h12-20H2,1-11H3 |
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| InChIKey | GQOLVPHEZKBKJT-UHFFFAOYSA-N |
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| XLogP | 1.92 |
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| TPSA | 74.33 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 529.90 |
| LogP ≤ 5 | 1.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine (CID 171623488) is 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine is CO[Si](CCCN(C)C)(OC)O[Si](CCCN(C)C)(OC)O[Si](CCCN(C)C)(OC)OC.
What is the InChIKey of 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine?
The InChIKey is GQOLVPHEZKBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H51N3O7Si3/c1-21(2)15-12-18-31(24-7,25-8)29-33(28-11,20-14-17-23(5)6)30-32(26-9,27-10)19-13-16-22(3)4/h12-20H2,1-11H3.
What are the key properties of 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine?
3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine has a molecular weight of 529.90 g/mol, XLogP of 1.92, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 171623488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).