4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium

C13H28NO3+ — CID 154509594

IUPAC4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium
SMILESCCCC[N+]1(CCOCCOC)CCOCC1
InChIInChI=1S/C13H28NO3/c1-3-4-5-14(6-9-16-10-7-14)8-11-17-13-12-15-2/h3-13H2,1-2H3/q+1
InChIKeyKGTMFQXHWFITNE-UHFFFAOYSA-N
MW246.37 g/mol
LogP1.30
Rot. Bonds9

About 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium

4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium (PubChem CID 154509594) has the molecular formula C13H28NO3+ and a molecular weight of 246.37 g/mol. Its IUPAC name is 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium
PubChem CID154509594
Molecular FormulaC13H28NO3+
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC Name4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium
SMILESCCCC[N+]1(CCOCCOC)CCOCC1
InChIInChI=1S/C13H28NO3/c1-3-4-5-14(6-9-16-10-7-14)8-11-17-13-12-15-2/h3-13H2,1-2H3/q+1
InChIKeyKGTMFQXHWFITNE-UHFFFAOYSA-N
XLogP1.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.30
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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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium?
The IUPAC name of 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium (CID 154509594) is 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium?
The canonical SMILES for 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium is CCCC[N+]1(CCOCCOC)CCOCC1.
What is the InChIKey of 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium?
The InChIKey is KGTMFQXHWFITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO3/c1-3-4-5-14(6-9-16-10-7-14)8-11-17-13-12-15-2/h3-13H2,1-2H3/q+1.
What are the key properties of 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium?
4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium has a molecular weight of 246.37 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-[2-(2-methoxyethoxy)ethyl]morpholin-4-ium is sourced from PubChem (CID 154509594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).