About 2-(4-diethoxysilylbutylamino)ethanol
2-(4-diethoxysilylbutylamino)ethanol (PubChem CID 173106587) has the molecular formula C10H25NO3Si
and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-(4-diethoxysilylbutylamino)ethanol.
Molecular Properties
| Compound Name | 2-(4-diethoxysilylbutylamino)ethanol |
| PubChem CID | 173106587 |
| Molecular Formula | C10H25NO3Si |
| Molecular Weight | 235.40 g/mol |
| Exact Mass | 235.16 |
| IUPAC Name | 2-(4-diethoxysilylbutylamino)ethanol |
| SMILES | CCO[SiH](CCCCNCCO)OCC |
| InChI | InChI=1S/C10H25NO3Si/c1-3-13-15(14-4-2)10-6-5-7-11-8-9-12/h11-12,15H,3-10H2,1-2H3 |
| InChIKey | LDANTXCYSWQVFL-UHFFFAOYSA-N |
| XLogP | 0.64 |
| TPSA | 50.72 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.40 |
| LogP ≤ 5 | 0.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-diethoxysilylbutylamino)ethanol?
The IUPAC name of 2-(4-diethoxysilylbutylamino)ethanol (CID 173106587) is 2-(4-diethoxysilylbutylamino)ethanol.
What is the SMILES notation for 2-(4-diethoxysilylbutylamino)ethanol?
The canonical SMILES for 2-(4-diethoxysilylbutylamino)ethanol is CCO[SiH](CCCCNCCO)OCC.
What is the InChIKey of 2-(4-diethoxysilylbutylamino)ethanol?
The InChIKey is LDANTXCYSWQVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO3Si/c1-3-13-15(14-4-2)10-6-5-7-11-8-9-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-(4-diethoxysilylbutylamino)ethanol?
2-(4-diethoxysilylbutylamino)ethanol has a molecular weight of 235.40 g/mol, XLogP of 0.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diethoxysilylbutylamino)ethanol is sourced from PubChem (CID 173106587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).