About N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide (PubChem CID 126547303) has the molecular formula C11H20N2
and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide.
Molecular Properties
| Compound Name | N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide |
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| PubChem CID | 126547303 |
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| Molecular Formula | C11H20N2 |
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| Molecular Weight | 180.29 g/mol |
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| Exact Mass | 180.16 |
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| IUPAC Name | N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide |
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| SMILES | C=C/N=C(\CC)NC(=C)C(C)(C)C |
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| InChI | InChI=1S/C11H20N2/c1-7-10(12-8-2)13-9(3)11(4,5)6/h8H,2-3,7H2,1,4-6H3,(H,12,13) |
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| InChIKey | FVPKLOIRJWNZBC-UHFFFAOYSA-N |
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| XLogP | 3.09 |
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| TPSA | 24.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 13 |
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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 | 180.29 |
| LogP ≤ 5 | 3.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide (CID 126547303) is N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide is C=C/N=C(\CC)NC(=C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide?
The InChIKey is FVPKLOIRJWNZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-10(12-8-2)13-9(3)11(4,5)6/h8H,2-3,7H2,1,4-6H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide?
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide is sourced from PubChem (CID 126547303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).