About 1-(1-ethylcyclohexyl)-N-methylethanamine
1-(1-ethylcyclohexyl)-N-methylethanamine (PubChem CID 142438459) has the molecular formula C11H23N
and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)-N-methylethanamine.
Molecular Properties
| Compound Name | 1-(1-ethylcyclohexyl)-N-methylethanamine |
| PubChem CID | 142438459 |
| Molecular Formula | C11H23N |
| Molecular Weight | 169.31 g/mol |
| Exact Mass | 169.18 |
| IUPAC Name | 1-(1-ethylcyclohexyl)-N-methylethanamine |
| SMILES | CCC1(C(C)NC)CCCCC1 |
| InChI | InChI=1S/C11H23N/c1-4-11(10(2)12-3)8-6-5-7-9-11/h10,12H,4-9H2,1-3H3 |
| InChIKey | BXIITRAUVNLGDE-UHFFFAOYSA-N |
| XLogP | 2.95 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 169.31 |
| LogP ≤ 5 | 2.95 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-(1-ethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 1-(1-ethylcyclohexyl)-N-methylethanamine (CID 142438459) is 1-(1-ethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethylcyclohexyl)-N-methylethanamine is CCC1(C(C)NC)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)-N-methylethanamine?
The InChIKey is BXIITRAUVNLGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-11(10(2)12-3)8-6-5-7-9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-(1-ethylcyclohexyl)-N-methylethanamine?
1-(1-ethylcyclohexyl)-N-methylethanamine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 142438459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).