About N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (PubChem CID 123621595) has the molecular formula C12H24N2O2Si
and a molecular weight of 256.42 g/mol. Its IUPAC name is N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.
Molecular Properties
| Compound Name | N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine |
| PubChem CID | 123621595 |
| Molecular Formula | C12H24N2O2Si |
| Molecular Weight | 256.42 g/mol |
| Exact Mass | 256.16 |
| IUPAC Name | N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine |
| SMILES | C=C[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C |
| InChI | InChI=1S/C12H24N2O2Si/c1-8-17(15-13-11(6)9(2)3)16-14-12(7)10(4)5/h8,13-14,17H,1H2,2-7H3 |
| InChIKey | OHYCNJVXUFLACK-UHFFFAOYSA-N |
| XLogP | 2.60 |
| TPSA | 42.52 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 256.42 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The IUPAC name of N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (CID 123621595) is N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The canonical SMILES for N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is C=C[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The InChIKey is OHYCNJVXUFLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2Si/c1-8-17(15-13-11(6)9(2)3)16-14-12(7)10(4)5/h8,13-14,17H,1H2,2-7H3.
What are the key properties of N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine has a molecular weight of 256.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is sourced from PubChem (CID 123621595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).