4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium

C12H26NO3+ — CID 154509592

IUPAC4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
SMILESCCC[N+]1(CCOCCOC)CCOCC1
InChIInChI=1S/C12H26NO3/c1-3-4-13(5-8-15-9-6-13)7-10-16-12-11-14-2/h3-12H2,1-2H3/q+1
InChIKeyLCQUEFWQIITWKG-UHFFFAOYSA-N
MW232.34 g/mol
LogP0.91
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium

4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium (PubChem CID 154509592) has the molecular formula C12H26NO3+ and a molecular weight of 232.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
PubChem CID154509592
Molecular FormulaC12H26NO3+
Molecular Weight232.34 g/mol
Exact Mass232.19
IUPAC Name4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
SMILESCCC[N+]1(CCOCCOC)CCOCC1
InChIInChI=1S/C12H26NO3/c1-3-4-13(5-8-15-9-6-13)7-10-16-12-11-14-2/h3-12H2,1-2H3/q+1
InChIKeyLCQUEFWQIITWKG-UHFFFAOYSA-N
XLogP0.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium
CID 154509594
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylmorpholin-4-ium
CID 102434092
3-[4-[2-[2-(2-octadecoxyethoxy)ethoxy]ethyl]morpholin-4-ium-4-yl]propane-1-sulfonic acid
CID 88699203
4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium
CID 118941090
4-(2-ethoxyethyl)-4-methylmorpholin-4-ium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645555
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
4-dodecyl-4-hexylmorpholin-4-ium
CID 158333828
4-methoxy-4-propylmorpholin-4-ium
CID 123449156
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;4-(2-methoxyethyl)-4-methylmorpholin-4-ium
CID 118645449
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium (CID 154509592) is 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium is CCC[N+]1(CCOCCOC)CCOCC1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?
The InChIKey is LCQUEFWQIITWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO3/c1-3-4-13(5-8-15-9-6-13)7-10-16-12-11-14-2/h3-12H2,1-2H3/q+1.
What are the key properties of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?
4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium has a molecular weight of 232.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium is sourced from PubChem (CID 154509592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).