About 1-butan-2-yl-3-propan-2-ylimidazolidine
1-butan-2-yl-3-propan-2-ylimidazolidine (PubChem CID 134599258) has the molecular formula C10H22N2
and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-butan-2-yl-3-propan-2-ylimidazolidine.
Molecular Properties
| Compound Name | 1-butan-2-yl-3-propan-2-ylimidazolidine |
| PubChem CID | 134599258 |
| Molecular Formula | C10H22N2 |
| Molecular Weight | 170.30 g/mol |
| Exact Mass | 170.18 |
| IUPAC Name | 1-butan-2-yl-3-propan-2-ylimidazolidine |
| SMILES | CCC(C)N1CCN(C(C)C)C1 |
| InChI | InChI=1S/C10H22N2/c1-5-10(4)12-7-6-11(8-12)9(2)3/h9-10H,5-8H2,1-4H3 |
| InChIKey | ANJFVNDGYWJLNG-UHFFFAOYSA-N |
| XLogP | 1.77 |
| TPSA | 6.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 170.30 |
| LogP ≤ 5 | 1.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-butan-2-yl-3-propan-2-ylimidazolidine?
The IUPAC name of 1-butan-2-yl-3-propan-2-ylimidazolidine (CID 134599258) is 1-butan-2-yl-3-propan-2-ylimidazolidine.
What is the SMILES notation for 1-butan-2-yl-3-propan-2-ylimidazolidine?
The canonical SMILES for 1-butan-2-yl-3-propan-2-ylimidazolidine is CCC(C)N1CCN(C(C)C)C1.
What is the InChIKey of 1-butan-2-yl-3-propan-2-ylimidazolidine?
The InChIKey is ANJFVNDGYWJLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-10(4)12-7-6-11(8-12)9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-propan-2-ylimidazolidine?
1-butan-2-yl-3-propan-2-ylimidazolidine has a molecular weight of 170.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-propan-2-ylimidazolidine is sourced from PubChem (CID 134599258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).