About 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106133697) has the molecular formula C11H24N2O
and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol.
Molecular Properties
| Compound Name | 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol |
| PubChem CID | 106133697 |
| Molecular Formula | C11H24N2O |
| Molecular Weight | 200.33 g/mol |
| Exact Mass | 200.19 |
| IUPAC Name | 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol |
| SMILES | CN(C)CCNCC1CCC(O)CC1 |
| InChI | InChI=1S/C11H24N2O/c1-13(2)8-7-12-9-10-3-5-11(14)6-4-10/h10-12,14H,3-9H2,1-2H3 |
| InChIKey | DRNAFBZZYMIILQ-UHFFFAOYSA-N |
| XLogP | 0.69 |
| TPSA | 35.50 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 200.33 |
| LogP ≤ 5 | 0.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol (CID 106133697) is 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol is CN(C)CCNCC1CCC(O)CC1.
What is the InChIKey of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is DRNAFBZZYMIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-13(2)8-7-12-9-10-3-5-11(14)6-4-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol?
4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).