About [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine (PubChem CID 105241056) has the molecular formula C15H31N3O
and a molecular weight of 269.43 g/mol. Its IUPAC name is [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine.
Molecular Properties
| Compound Name | [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine |
| PubChem CID | 105241056 |
| Molecular Formula | C15H31N3O |
| Molecular Weight | 269.43 g/mol |
| Exact Mass | 269.25 |
| IUPAC Name | [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine |
| SMILES | CCC(C)(C(CC1CCOCC1)NN)N1CCCC1 |
| InChI | InChI=1S/C15H31N3O/c1-3-15(2,18-8-4-5-9-18)14(17-16)12-13-6-10-19-11-7-13/h13-14,17H,3-12,16H2,1-2H3 |
| InChIKey | FKIQZHYMPHDDIS-UHFFFAOYSA-N |
| XLogP | 1.90 |
| TPSA | 50.52 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 269.43 |
| LogP ≤ 5 | 1.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
The IUPAC name of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine (CID 105241056) is [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
The canonical SMILES for [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine is CCC(C)(C(CC1CCOCC1)NN)N1CCCC1.
What is the InChIKey of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
The InChIKey is FKIQZHYMPHDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-15(2,18-8-4-5-9-18)14(17-16)12-13-6-10-19-11-7-13/h13-14,17H,3-12,16H2,1-2H3.
What are the key properties of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine has a molecular weight of 269.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine is sourced from PubChem (CID 105241056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).