About 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 114762511) has the molecular formula C14H27NO
and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol.
Molecular Properties
| Compound Name | 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol |
| PubChem CID | 114762511 |
| Molecular Formula | C14H27NO |
| Molecular Weight | 225.38 g/mol |
| Exact Mass | 225.21 |
| IUPAC Name | 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol |
| SMILES | CC1CCCCC1N(C)C1CCC(O)CC1 |
| InChI | InChI=1S/C14H27NO/c1-11-5-3-4-6-14(11)15(2)12-7-9-13(16)10-8-12/h11-14,16H,3-10H2,1-2H3 |
| InChIKey | FELDGUDUZIUTHP-UHFFFAOYSA-N |
| XLogP | 2.80 |
| TPSA | 23.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.38 |
| LogP ≤ 5 | 2.80 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol (CID 114762511) is 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol is CC1CCCCC1N(C)C1CCC(O)CC1.
What is the InChIKey of 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is FELDGUDUZIUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-5-3-4-6-14(11)15(2)12-7-9-13(16)10-8-12/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 114762511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).