About 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine
1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine (PubChem CID 75428467) has the molecular formula C15H30N2S
and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine.
Molecular Properties
| Compound Name | 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine |
| PubChem CID | 75428467 |
| Molecular Formula | C15H30N2S |
| Molecular Weight | 270.49 g/mol |
| Exact Mass | 270.21 |
| IUPAC Name | 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine |
| SMILES | CCSC1CCC(NC2CCN(CC)CC2C)C1 |
| InChI | InChI=1S/C15H30N2S/c1-4-17-9-8-15(12(3)11-17)16-13-6-7-14(10-13)18-5-2/h12-16H,4-11H2,1-3H3 |
| InChIKey | PCPAWUNGKCLTJV-UHFFFAOYSA-N |
| XLogP | 2.98 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.49 |
| LogP ≤ 5 | 2.98 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine (CID 75428467) is 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine is CCSC1CCC(NC2CCN(CC)CC2C)C1.
What is the InChIKey of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
The InChIKey is PCPAWUNGKCLTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-17-9-8-15(12(3)11-17)16-13-6-7-14(10-13)18-5-2/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine?
1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethylsulfanylcyclopentyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 75428467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).