4-ethyl-2,2,4-trimethylmorpholin-4-ium

C9H20NO+ — CID 13123892

IUPAC4-ethyl-2,2,4-trimethylmorpholin-4-ium
SMILESCC[N+]1(C)CCOC(C)(C)C1
InChIInChI=1S/C9H20NO/c1-5-10(4)6-7-11-9(2,3)8-10/h5-8H2,1-4H3/q+1
InChIKeyQFTVSRRBXOOKTB-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.26
Rot. Bonds1

About 4-ethyl-2,2,4-trimethylmorpholin-4-ium

4-ethyl-2,2,4-trimethylmorpholin-4-ium (PubChem CID 13123892) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is 4-ethyl-2,2,4-trimethylmorpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-2,2,4-trimethylmorpholin-4-ium
PubChem CID13123892
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name4-ethyl-2,2,4-trimethylmorpholin-4-ium
SMILESCC[N+]1(C)CCOC(C)(C)C1
InChIInChI=1S/C9H20NO/c1-5-10(4)6-7-11-9(2,3)8-10/h5-8H2,1-4H3/q+1
InChIKeyQFTVSRRBXOOKTB-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2,4-trimethylmorpholin-4-ium?
The IUPAC name of 4-ethyl-2,2,4-trimethylmorpholin-4-ium (CID 13123892) is 4-ethyl-2,2,4-trimethylmorpholin-4-ium.
What is the SMILES notation for 4-ethyl-2,2,4-trimethylmorpholin-4-ium?
The canonical SMILES for 4-ethyl-2,2,4-trimethylmorpholin-4-ium is CC[N+]1(C)CCOC(C)(C)C1.
What is the InChIKey of 4-ethyl-2,2,4-trimethylmorpholin-4-ium?
The InChIKey is QFTVSRRBXOOKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-5-10(4)6-7-11-9(2,3)8-10/h5-8H2,1-4H3/q+1.
What are the key properties of 4-ethyl-2,2,4-trimethylmorpholin-4-ium?
4-ethyl-2,2,4-trimethylmorpholin-4-ium has a molecular weight of 158.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2,4-trimethylmorpholin-4-ium is sourced from PubChem (CID 13123892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).