About 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile
2,2-dimethylbutanedinitrile;2-methylbutanedinitrile (PubChem CID 158955611) has the molecular formula C11H14N4
and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile.
Molecular Properties
| Compound Name | 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile |
|---|
| PubChem CID | 158955611 |
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| Molecular Formula | C11H14N4 |
|---|
| Molecular Weight | 202.26 g/mol |
|---|
| Exact Mass | 202.12 |
|---|
| IUPAC Name | 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile |
|---|
| SMILES | CC(C#N)CC#N.CC(C)(C#N)CC#N |
|---|
| InChI | InChI=1S/C6H8N2.C5H6N2/c1-6(2,5-8)3-4-7;1-5(4-7)2-3-6/h3H2,1-2H3;5H,2H2,1H3 |
|---|
| InChIKey | JLYUOCFLSXQPHF-UHFFFAOYSA-N |
|---|
| XLogP | 2.51 |
|---|
| TPSA | 95.16 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 15 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.26 |
| LogP ≤ 5 | 2.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?
The IUPAC name of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile (CID 158955611) is 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile.
What is the SMILES notation for 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?
The canonical SMILES for 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile is CC(C#N)CC#N.CC(C)(C#N)CC#N.
What is the InChIKey of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?
The InChIKey is JLYUOCFLSXQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C5H6N2/c1-6(2,5-8)3-4-7;1-5(4-7)2-3-6/h3H2,1-2H3;5H,2H2,1H3.
What are the key properties of 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile?
2,2-dimethylbutanedinitrile;2-methylbutanedinitrile has a molecular weight of 202.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanedinitrile;2-methylbutanedinitrile is sourced from PubChem (CID 158955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).