About 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol
1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol (PubChem CID 83236504) has the molecular formula C12H23NO2
and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol.
Molecular Properties
| Compound Name | 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol |
| PubChem CID | 83236504 |
| Molecular Formula | C12H23NO2 |
| Molecular Weight | 213.32 g/mol |
| Exact Mass | 213.17 |
| IUPAC Name | 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol |
| SMILES | OC1(CNOC2CCCC2)CCCCC1 |
| InChI | InChI=1S/C12H23NO2/c14-12(8-4-1-5-9-12)10-13-15-11-6-2-3-7-11/h11,13-14H,1-10H2 |
| InChIKey | JOJYXPBAVQXCKV-UHFFFAOYSA-N |
| XLogP | 2.15 |
| TPSA | 41.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 213.32 |
| LogP ≤ 5 | 2.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol (CID 83236504) is 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol is OC1(CNOC2CCCC2)CCCCC1.
What is the InChIKey of 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol?
The InChIKey is JOJYXPBAVQXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-12(8-4-1-5-9-12)10-13-15-11-6-2-3-7-11/h11,13-14H,1-10H2.
What are the key properties of 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol?
1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopentyloxyamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 83236504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).