About N-ethenyl-N'-propan-2-ylmethanimidamide
N-ethenyl-N'-propan-2-ylmethanimidamide (PubChem CID 23558871) has the molecular formula C6H12N2
and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethenyl-N'-propan-2-ylmethanimidamide.
Molecular Properties
| Compound Name | N-ethenyl-N'-propan-2-ylmethanimidamide |
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| PubChem CID | 23558871 |
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| Molecular Formula | C6H12N2 |
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| Molecular Weight | 112.18 g/mol |
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| Exact Mass | 112.10 |
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| IUPAC Name | N-ethenyl-N'-propan-2-ylmethanimidamide |
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| SMILES | C=CN/C=N/C(C)C |
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| InChI | InChI=1S/C6H12N2/c1-4-7-5-8-6(2)3/h4-6H,1H2,2-3H3,(H,7,8) |
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| InChIKey | RCFWCQRKIBPYRW-UHFFFAOYSA-N |
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| XLogP | 1.16 |
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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 | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 112.18 |
| LogP ≤ 5 | 1.16 |
| 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-ethenyl-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-ethenyl-N'-propan-2-ylmethanimidamide (CID 23558871) is N-ethenyl-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-ethenyl-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-ethenyl-N'-propan-2-ylmethanimidamide is C=CN/C=N/C(C)C.
What is the InChIKey of N-ethenyl-N'-propan-2-ylmethanimidamide?
The InChIKey is RCFWCQRKIBPYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-7-5-8-6(2)3/h4-6H,1H2,2-3H3,(H,7,8).
What are the key properties of N-ethenyl-N'-propan-2-ylmethanimidamide?
N-ethenyl-N'-propan-2-ylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 23558871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).