About N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide
N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 25766) has the molecular formula C11H16N2
and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide.
Molecular Properties
| Compound Name | N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide |
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| PubChem CID | 25766 |
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| Molecular Formula | C11H16N2 |
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| Molecular Weight | 176.26 g/mol |
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| Exact Mass | 176.13 |
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| IUPAC Name | N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide |
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| SMILES | Cc1ccc(/N=C/N(C)C)cc1C |
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| InChI | InChI=1S/C11H16N2/c1-9-5-6-11(7-10(9)2)12-8-13(3)4/h5-8H,1-4H3/b12-8+ |
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| InChIKey | XWNIJAMAQNWJCQ-XYOKQWHBSA-N |
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| XLogP | 2.52 |
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| TPSA | 15.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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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 | 176.26 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 0 |
| 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'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide (CID 25766) is N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide is Cc1ccc(/N=C/N(C)C)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is XWNIJAMAQNWJCQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-5-6-11(7-10(9)2)12-8-13(3)4/h5-8H,1-4H3/b12-8+.
What are the key properties of N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide?
N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 25766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).