2-hexyl-4-methyl-4-oxidomorpholin-4-ium

C11H23NO2 — CID 155144376

IUPAC2-hexyl-4-methyl-4-oxidomorpholin-4-ium
SMILESCCCCCCC1C[N+](C)([O-])CCO1
InChIInChI=1S/C11H23NO2/c1-3-4-5-6-7-11-10-12(2,13)8-9-14-11/h11H,3-10H2,1-2H3
InChIKeyKIRFRDWXCMYQQE-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.30
Rot. Bonds5

About 2-hexyl-4-methyl-4-oxidomorpholin-4-ium

2-hexyl-4-methyl-4-oxidomorpholin-4-ium (PubChem CID 155144376) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-hexyl-4-methyl-4-oxidomorpholin-4-ium.

Molecular Properties

Compound Name2-hexyl-4-methyl-4-oxidomorpholin-4-ium
PubChem CID155144376
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-hexyl-4-methyl-4-oxidomorpholin-4-ium
SMILESCCCCCCC1C[N+](C)([O-])CCO1
InChIInChI=1S/C11H23NO2/c1-3-4-5-6-7-11-10-12(2,13)8-9-14-11/h11H,3-10H2,1-2H3
InChIKeyKIRFRDWXCMYQQE-UHFFFAOYSA-N
XLogP2.30
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-hexyl-4-methyl-4-oxidomorpholin-4-ium?
The IUPAC name of 2-hexyl-4-methyl-4-oxidomorpholin-4-ium (CID 155144376) is 2-hexyl-4-methyl-4-oxidomorpholin-4-ium.
What is the SMILES notation for 2-hexyl-4-methyl-4-oxidomorpholin-4-ium?
The canonical SMILES for 2-hexyl-4-methyl-4-oxidomorpholin-4-ium is CCCCCCC1C[N+](C)([O-])CCO1.
What is the InChIKey of 2-hexyl-4-methyl-4-oxidomorpholin-4-ium?
The InChIKey is KIRFRDWXCMYQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-5-6-7-11-10-12(2,13)8-9-14-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-hexyl-4-methyl-4-oxidomorpholin-4-ium?
2-hexyl-4-methyl-4-oxidomorpholin-4-ium has a molecular weight of 201.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-methyl-4-oxidomorpholin-4-ium is sourced from PubChem (CID 155144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).