About 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine (PubChem CID 113448631) has the molecular formula C14H27NO2
and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine.
Molecular Properties
| Compound Name | 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine |
| PubChem CID | 113448631 |
| Molecular Formula | C14H27NO2 |
| Molecular Weight | 241.37 g/mol |
| Exact Mass | 241.20 |
| IUPAC Name | 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine |
| SMILES | CCNC(COC1CCOCC1)C1CCCC1 |
| InChI | InChI=1S/C14H27NO2/c1-2-15-14(12-5-3-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3 |
| InChIKey | HKGDFQSJOPXNST-UHFFFAOYSA-N |
| XLogP | 2.35 |
| TPSA | 30.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 241.37 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine (CID 113448631) is 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine is CCNC(COC1CCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
The InChIKey is HKGDFQSJOPXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-15-14(12-5-3-4-6-12)11-17-13-7-9-16-10-8-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine?
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine is sourced from PubChem (CID 113448631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).