N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide

C13H22N2O2 — CID 89073871

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide
SMILESCC1CN(C2C=CC(NC=O)CC2)CC(C)O1
InChIInChI=1S/C13H22N2O2/c1-10-7-15(8-11(2)17-10)13-5-3-12(4-6-13)14-9-16/h3,5,9-13H,4,6-8H2,1-2H3,(H,14,16)
InChIKeyXNYANUUHBCRKMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds3

About N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide

N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide (PubChem CID 89073871) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide
PubChem CID89073871
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide
SMILESCC1CN(C2C=CC(NC=O)CC2)CC(C)O1
InChIInChI=1S/C13H22N2O2/c1-10-7-15(8-11(2)17-10)13-5-3-12(4-6-13)14-9-16/h3,5,9-13H,4,6-8H2,1-2H3,(H,14,16)
InChIKeyXNYANUUHBCRKMW-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide (CID 89073871) is N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide is CC1CN(C2C=CC(NC=O)CC2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide?
The InChIKey is XNYANUUHBCRKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-7-15(8-11(2)17-10)13-5-3-12(4-6-13)14-9-16/h3,5,9-13H,4,6-8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide?
N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide has a molecular weight of 238.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)cyclohex-2-en-1-yl]formamide is sourced from PubChem (CID 89073871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).