About 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105139095) has the molecular formula C15H26F3N
and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
Molecular Properties
| Compound Name | 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine |
| PubChem CID | 105139095 |
| Molecular Formula | C15H26F3N |
| Molecular Weight | 277.37 g/mol |
| Exact Mass | 277.20 |
| IUPAC Name | 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine |
| SMILES | CNC(CC1CCCC1)C1CCCCC1C(F)(F)F |
| InChI | InChI=1S/C15H26F3N/c1-19-14(10-11-6-2-3-7-11)12-8-4-5-9-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3 |
| InChIKey | VBPGZQFGQRFFEE-UHFFFAOYSA-N |
| XLogP | 4.52 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 277.37 |
| LogP ≤ 5 | 4.52 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105139095) is 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is CNC(CC1CCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is VBPGZQFGQRFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-19-14(10-11-6-2-3-7-11)12-8-4-5-9-13(12)15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105139095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).