About 3-butyl-6-propan-2-yl-2-propylpyridine
3-butyl-6-propan-2-yl-2-propylpyridine (PubChem CID 138530868) has the molecular formula C15H25N
and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-butyl-6-propan-2-yl-2-propylpyridine.
Molecular Properties
| Compound Name | 3-butyl-6-propan-2-yl-2-propylpyridine |
| PubChem CID | 138530868 |
| Molecular Formula | C15H25N |
| Molecular Weight | 219.37 g/mol |
| Exact Mass | 219.20 |
| IUPAC Name | 3-butyl-6-propan-2-yl-2-propylpyridine |
| SMILES | CCCCc1ccc(C(C)C)nc1CCC |
| InChI | InChI=1S/C15H25N/c1-5-7-9-13-10-11-14(12(3)4)16-15(13)8-6-2/h10-12H,5-9H2,1-4H3 |
| InChIKey | OEVFDYLENMRZNR-UHFFFAOYSA-N |
| XLogP | 4.50 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 219.37 |
| LogP ≤ 5 | 4.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-butyl-6-propan-2-yl-2-propylpyridine?
The IUPAC name of 3-butyl-6-propan-2-yl-2-propylpyridine (CID 138530868) is 3-butyl-6-propan-2-yl-2-propylpyridine.
What is the SMILES notation for 3-butyl-6-propan-2-yl-2-propylpyridine?
The canonical SMILES for 3-butyl-6-propan-2-yl-2-propylpyridine is CCCCc1ccc(C(C)C)nc1CCC.
What is the InChIKey of 3-butyl-6-propan-2-yl-2-propylpyridine?
The InChIKey is OEVFDYLENMRZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-9-13-10-11-14(12(3)4)16-15(13)8-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-butyl-6-propan-2-yl-2-propylpyridine?
3-butyl-6-propan-2-yl-2-propylpyridine has a molecular weight of 219.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-propan-2-yl-2-propylpyridine is sourced from PubChem (CID 138530868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).