2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide

C12H22N2O2 — CID 108910910

IUPAC2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
SMILESCC(C)/C=C/NC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)5-6-13-12(15)14-7-10(3)16-11(4)8-14/h5-6,9-11H,7-8H2,1-4H3,(H,13,15)/b6-5+
InChIKeyAUOMSUYFAISYLI-AATRIKPKSA-N
MW226.32 g/mol
LogP1.97
Rot. Bonds2

About 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide

2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide (PubChem CID 108910910) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
PubChem CID108910910
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide
SMILESCC(C)/C=C/NC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)5-6-13-12(15)14-7-10(3)16-11(4)8-14/h5-6,9-11H,7-8H2,1-4H3,(H,13,15)/b6-5+
InChIKeyAUOMSUYFAISYLI-AATRIKPKSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide (CID 108910910) is 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide is CC(C)/C=C/NC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
The InChIKey is AUOMSUYFAISYLI-AATRIKPKSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)5-6-13-12(15)14-7-10(3)16-11(4)8-14/h5-6,9-11H,7-8H2,1-4H3,(H,13,15)/b6-5+.
What are the key properties of 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide?
2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(E)-3-methylbut-1-enyl]morpholine-4-carboxamide is sourced from PubChem (CID 108910910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).