About (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide
(6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 91651123) has the molecular formula C15H26N2O2
and a molecular weight of 266.38 g/mol. Its IUPAC name is (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide.
Molecular Properties
| Compound Name | (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide |
| PubChem CID | 91651123 |
| Molecular Formula | C15H26N2O2 |
| Molecular Weight | 266.38 g/mol |
| Exact Mass | 266.20 |
| IUPAC Name | (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide |
| SMILES | CC1=CCCC(C)C1CN1CC(C(N)=O)O[C@H](C)C1 |
| InChI | InChI=1S/C15H26N2O2/c1-10-5-4-6-11(2)13(10)8-17-7-12(3)19-14(9-17)15(16)18/h5,11-14H,4,6-9H2,1-3H3,(H2,16,18)/t11?,12-,13?,14?/m1/s1 |
| InChIKey | PMKCMSBMXOZEQH-DBBXXEFVSA-N |
| XLogP | 1.55 |
| TPSA | 55.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.38 |
| LogP ≤ 5 | 1.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide (CID 91651123) is (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide is CC1=CCCC(C)C1CN1CC(C(N)=O)O[C@H](C)C1.
What is the InChIKey of (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is PMKCMSBMXOZEQH-DBBXXEFVSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-5-4-6-11(2)13(10)8-17-7-12(3)19-14(9-17)15(16)18/h5,11-14H,4,6-9H2,1-3H3,(H2,16,18)/t11?,12-,13?,14?/m1/s1.
What are the key properties of (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide?
(6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 91651123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).