About acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine
acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 174272810) has the molecular formula C12H31N3O5Si
and a molecular weight of 325.48 g/mol. Its IUPAC name is acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine.
Molecular Properties
| Compound Name | acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine |
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| PubChem CID | 174272810 |
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| Molecular Formula | C12H31N3O5Si |
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| Molecular Weight | 325.48 g/mol |
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| Exact Mass | 325.20 |
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| IUPAC Name | acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine |
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| SMILES | CC(=O)O.CCC(N(CCN)CCN)[Si](OC)(OC)OC |
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| InChI | InChI=1S/C10H27N3O3Si.C2H4O2/c1-5-10(13(8-6-11)9-7-12)17(14-2,15-3)16-4;1-2(3)4/h10H,5-9,11-12H2,1-4H3;1H3,(H,3,4) |
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| InChIKey | HALUWPMHBDUKQO-UHFFFAOYSA-N |
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| XLogP | -0.51 |
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| TPSA | 120.27 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 21 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 325.48 |
| LogP ≤ 5 | -0.51 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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 acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine (CID 174272810) is acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine is CC(=O)O.CCC(N(CCN)CCN)[Si](OC)(OC)OC.
What is the InChIKey of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is HALUWPMHBDUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O3Si.C2H4O2/c1-5-10(13(8-6-11)9-7-12)17(14-2,15-3)16-4;1-2(3)4/h10H,5-9,11-12H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 325.48 g/mol, XLogP of -0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 174272810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).