About N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide
N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide (PubChem CID 143834995) has the molecular formula C11H19N3O
and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide.
Molecular Properties
| Compound Name | N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide |
| PubChem CID | 143834995 |
| Molecular Formula | C11H19N3O |
| Molecular Weight | 209.29 g/mol |
| Exact Mass | 209.15 |
| IUPAC Name | N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide |
| SMILES | C=C/C=N\C(=C)N(C)CCN(C)C(C)=O |
| InChI | InChI=1S/C11H19N3O/c1-6-7-12-10(2)13(4)8-9-14(5)11(3)15/h6-7H,1-2,8-9H2,3-5H3/b12-7- |
| InChIKey | DVNJBIDAHWEWAW-GHXNOFRVSA-N |
| XLogP | 1.12 |
| TPSA | 35.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.29 |
| LogP ≤ 5 | 1.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide (CID 143834995) is N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide is C=C/C=N\C(=C)N(C)CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide?
The InChIKey is DVNJBIDAHWEWAW-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6-7-12-10(2)13(4)8-9-14(5)11(3)15/h6-7H,1-2,8-9H2,3-5H3/b12-7-.
What are the key properties of N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide?
N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide is sourced from PubChem (CID 143834995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).