About N'-(3-methylbut-1-enyl)ethanimidamide
N'-(3-methylbut-1-enyl)ethanimidamide (PubChem CID 140960156) has the molecular formula C7H14N2
and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-(3-methylbut-1-enyl)ethanimidamide.
Molecular Properties
| Compound Name | N'-(3-methylbut-1-enyl)ethanimidamide |
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| PubChem CID | 140960156 |
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| Molecular Formula | C7H14N2 |
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| Molecular Weight | 126.20 g/mol |
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| Exact Mass | 126.12 |
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| IUPAC Name | N'-(3-methylbut-1-enyl)ethanimidamide |
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| SMILES | C/C(N)=N\C=CC(C)C |
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| InChI | InChI=1S/C7H14N2/c1-6(2)4-5-9-7(3)8/h4-6H,1-3H3,(H2,8,9) |
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| InChIKey | SCFOYHDVBGRZST-UHFFFAOYSA-N |
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| XLogP | 1.53 |
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| TPSA | 38.38 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 9 |
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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 | 126.20 |
| LogP ≤ 5 | 1.53 |
| 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-methylbut-1-enyl)ethanimidamide?
The IUPAC name of N'-(3-methylbut-1-enyl)ethanimidamide (CID 140960156) is N'-(3-methylbut-1-enyl)ethanimidamide.
What is the SMILES notation for N'-(3-methylbut-1-enyl)ethanimidamide?
The canonical SMILES for N'-(3-methylbut-1-enyl)ethanimidamide is C/C(N)=N\C=CC(C)C.
What is the InChIKey of N'-(3-methylbut-1-enyl)ethanimidamide?
The InChIKey is SCFOYHDVBGRZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)4-5-9-7(3)8/h4-6H,1-3H3,(H2,8,9).
What are the key properties of N'-(3-methylbut-1-enyl)ethanimidamide?
N'-(3-methylbut-1-enyl)ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-1-enyl)ethanimidamide is sourced from PubChem (CID 140960156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).