About 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine (PubChem CID 79559439) has the molecular formula C14H25N
and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine.
Molecular Properties
| Compound Name | 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine |
| PubChem CID | 79559439 |
| Molecular Formula | C14H25N |
| Molecular Weight | 207.36 g/mol |
| Exact Mass | 207.20 |
| IUPAC Name | 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine |
| SMILES | NC(CC1CC2CCC1C2)C1CCCC1 |
| InChI | InChI=1S/C14H25N/c15-14(11-3-1-2-4-11)9-13-8-10-5-6-12(13)7-10/h10-14H,1-9,15H2 |
| InChIKey | XTCYIDZAIIMOFO-UHFFFAOYSA-N |
| XLogP | 3.33 |
| TPSA | 26.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 207.36 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine (CID 79559439) is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine is NC(CC1CC2CCC1C2)C1CCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
The InChIKey is XTCYIDZAIIMOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c15-14(11-3-1-2-4-11)9-13-8-10-5-6-12(13)7-10/h10-14H,1-9,15H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine is sourced from PubChem (CID 79559439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).