About 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide (PubChem CID 60867081) has the molecular formula C14H26N2O
and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide.
Molecular Properties
| Compound Name | 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide |
| PubChem CID | 60867081 |
| Molecular Formula | C14H26N2O |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.20 |
| IUPAC Name | 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide |
| SMILES | CCC1CCCCC1NC(=O)CCNC1CC1 |
| InChI | InChI=1S/C14H26N2O/c1-2-11-5-3-4-6-13(11)16-14(17)9-10-15-12-7-8-12/h11-13,15H,2-10H2,1H3,(H,16,17) |
| InChIKey | ZZRSNCZADSGRQG-UHFFFAOYSA-N |
| XLogP | 2.21 |
| TPSA | 41.13 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.37 |
| LogP ≤ 5 | 2.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide (CID 60867081) is 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide is CCC1CCCCC1NC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide?
The InChIKey is ZZRSNCZADSGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-11-5-3-4-6-13(11)16-14(17)9-10-15-12-7-8-12/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide?
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide has a molecular weight of 238.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide is sourced from PubChem (CID 60867081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).