About N-ethyl-1-propylcyclohexan-1-amine
N-ethyl-1-propylcyclohexan-1-amine (PubChem CID 581031) has the molecular formula C11H23N
and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-1-propylcyclohexan-1-amine.
Molecular Properties
| Compound Name | N-ethyl-1-propylcyclohexan-1-amine |
| PubChem CID | 581031 |
| Molecular Formula | C11H23N |
| Molecular Weight | 169.31 g/mol |
| Exact Mass | 169.18 |
| IUPAC Name | N-ethyl-1-propylcyclohexan-1-amine |
| SMILES | CCCC1(NCC)CCCCC1 |
| InChI | InChI=1S/C11H23N/c1-3-8-11(12-4-2)9-6-5-7-10-11/h12H,3-10H2,1-2H3 |
| InChIKey | YYYRTAOQDSZFFZ-UHFFFAOYSA-N |
| XLogP | 3.10 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 169.31 |
| LogP ≤ 5 | 3.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of N-ethyl-1-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-1-propylcyclohexan-1-amine (CID 581031) is N-ethyl-1-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-1-propylcyclohexan-1-amine is CCCC1(NCC)CCCCC1.
What is the InChIKey of N-ethyl-1-propylcyclohexan-1-amine?
The InChIKey is YYYRTAOQDSZFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-8-11(12-4-2)9-6-5-7-10-11/h12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-propylcyclohexan-1-amine?
N-ethyl-1-propylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propylcyclohexan-1-amine is sourced from PubChem (CID 581031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).