4-ethyl-2,4-dimethylmorpholin-4-ium

C8H18NO+ — CID 13123889

IUPAC4-ethyl-2,4-dimethylmorpholin-4-ium
SMILESCC[N+]1(C)CCOC(C)C1
InChIInChI=1S/C8H18NO/c1-4-9(3)5-6-10-8(2)7-9/h8H,4-7H2,1-3H3/q+1
InChIKeySCBMKUYARXMUKB-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.87
Rot. Bonds1

About 4-ethyl-2,4-dimethylmorpholin-4-ium

4-ethyl-2,4-dimethylmorpholin-4-ium (PubChem CID 13123889) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-2,4-dimethylmorpholin-4-ium
PubChem CID13123889
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name4-ethyl-2,4-dimethylmorpholin-4-ium
SMILESCC[N+]1(C)CCOC(C)C1
InChIInChI=1S/C8H18NO/c1-4-9(3)5-6-10-8(2)7-9/h8H,4-7H2,1-3H3/q+1
InChIKeySCBMKUYARXMUKB-UHFFFAOYSA-N
XLogP0.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.87
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-2,4-dimethylmorpholin-4-ium?
The IUPAC name of 4-ethyl-2,4-dimethylmorpholin-4-ium (CID 13123889) is 4-ethyl-2,4-dimethylmorpholin-4-ium.
What is the SMILES notation for 4-ethyl-2,4-dimethylmorpholin-4-ium?
The canonical SMILES for 4-ethyl-2,4-dimethylmorpholin-4-ium is CC[N+]1(C)CCOC(C)C1.
What is the InChIKey of 4-ethyl-2,4-dimethylmorpholin-4-ium?
The InChIKey is SCBMKUYARXMUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-4-9(3)5-6-10-8(2)7-9/h8H,4-7H2,1-3H3/q+1.
What are the key properties of 4-ethyl-2,4-dimethylmorpholin-4-ium?
4-ethyl-2,4-dimethylmorpholin-4-ium has a molecular weight of 144.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethylmorpholin-4-ium is sourced from PubChem (CID 13123889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).