About 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine (PubChem CID 165465012) has the molecular formula C11H17N3O
and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine.
Molecular Properties
| Compound Name | 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine |
| PubChem CID | 165465012 |
| Molecular Formula | C11H17N3O |
| Molecular Weight | 207.28 g/mol |
| Exact Mass | 207.14 |
| IUPAC Name | 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine |
| SMILES | Nc1cn(C2CCOC3(CCC3)C2)cn1 |
| InChI | InChI=1S/C11H17N3O/c12-10-7-14(8-13-10)9-2-5-15-11(6-9)3-1-4-11/h7-9H,1-6,12H2 |
| InChIKey | DKARBSVLTCZBDY-UHFFFAOYSA-N |
| XLogP | 1.74 |
| TPSA | 53.07 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 207.28 |
| LogP ≤ 5 | 1.74 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine (CID 165465012) is 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine is Nc1cn(C2CCOC3(CCC3)C2)cn1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
The InChIKey is DKARBSVLTCZBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-7-14(8-13-10)9-2-5-15-11(6-9)3-1-4-11/h7-9H,1-6,12H2.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine?
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine is sourced from PubChem (CID 165465012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).