About N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine (PubChem CID 55087537) has the molecular formula C15H30N2
and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine.
Molecular Properties
| Compound Name | N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine |
| PubChem CID | 55087537 |
| Molecular Formula | C15H30N2 |
| Molecular Weight | 238.42 g/mol |
| Exact Mass | 238.24 |
| IUPAC Name | N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine |
| SMILES | CCC1CCN(CCCNC2CCCC2)CC1 |
| InChI | InChI=1S/C15H30N2/c1-2-14-8-12-17(13-9-14)11-5-10-16-15-6-3-4-7-15/h14-16H,2-13H2,1H3 |
| InChIKey | JQBDDNCLBVLLMX-UHFFFAOYSA-N |
| XLogP | 3.03 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.42 |
| LogP ≤ 5 | 3.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine (CID 55087537) is N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine is CCC1CCN(CCCNC2CCCC2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine?
The InChIKey is JQBDDNCLBVLLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-14-8-12-17(13-9-14)11-5-10-16-15-6-3-4-7-15/h14-16H,2-13H2,1H3.
What are the key properties of N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine?
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 55087537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).