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

C8H18ClNO — CID 13123888

IUPAC4-ethyl-2,4-dimethylmorpholin-4-ium chloride
SMILESCC[N+]1(C)CCOC(C)C1.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-4-9(3)5-6-10-8(2)7-9;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyOIPGWOVHXRUNCX-UHFFFAOYSA-M
MW179.69 g/mol
LogP-2.12
Rot. Bonds1

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

4-ethyl-2,4-dimethylmorpholin-4-ium chloride (PubChem CID 13123888) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-ethyl-2,4-dimethylmorpholin-4-ium chloride
PubChem CID13123888
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-ethyl-2,4-dimethylmorpholin-4-ium chloride
SMILESCC[N+]1(C)CCOC(C)C1.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-4-9(3)5-6-10-8(2)7-9;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyOIPGWOVHXRUNCX-UHFFFAOYSA-M
XLogP-2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-2.12
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 chloride?
The IUPAC name of 4-ethyl-2,4-dimethylmorpholin-4-ium chloride (CID 13123888) is 4-ethyl-2,4-dimethylmorpholin-4-ium chloride.
What is the SMILES notation for 4-ethyl-2,4-dimethylmorpholin-4-ium chloride?
The canonical SMILES for 4-ethyl-2,4-dimethylmorpholin-4-ium chloride is CC[N+]1(C)CCOC(C)C1.[Cl-].
What is the InChIKey of 4-ethyl-2,4-dimethylmorpholin-4-ium chloride?
The InChIKey is OIPGWOVHXRUNCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.ClH/c1-4-9(3)5-6-10-8(2)7-9;/h8H,4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 4-ethyl-2,4-dimethylmorpholin-4-ium chloride?
4-ethyl-2,4-dimethylmorpholin-4-ium chloride has a molecular weight of 179.69 g/mol, XLogP of -2.12, 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 chloride is sourced from PubChem (CID 13123888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).