4-methoxy-4-propylmorpholin-4-ium

C8H18NO2+ — CID 123449156

IUPAC4-methoxy-4-propylmorpholin-4-ium
SMILESCCC[N+]1(OC)CCOCC1
InChIInChI=1S/C8H18NO2/c1-3-4-9(10-2)5-7-11-8-6-9/h3-8H2,1-2H3/q+1
InChIKeyLTOSFKXIZGVKDY-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.80
Rot. Bonds3

About 4-methoxy-4-propylmorpholin-4-ium

4-methoxy-4-propylmorpholin-4-ium (PubChem CID 123449156) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-methoxy-4-propylmorpholin-4-ium.

Molecular Properties

Compound Name4-methoxy-4-propylmorpholin-4-ium
PubChem CID123449156
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name4-methoxy-4-propylmorpholin-4-ium
SMILESCCC[N+]1(OC)CCOCC1
InChIInChI=1S/C8H18NO2/c1-3-4-9(10-2)5-7-11-8-6-9/h3-8H2,1-2H3/q+1
InChIKeyLTOSFKXIZGVKDY-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-4-propylmorpholin-4-ium?
The IUPAC name of 4-methoxy-4-propylmorpholin-4-ium (CID 123449156) is 4-methoxy-4-propylmorpholin-4-ium.
What is the SMILES notation for 4-methoxy-4-propylmorpholin-4-ium?
The canonical SMILES for 4-methoxy-4-propylmorpholin-4-ium is CCC[N+]1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-4-propylmorpholin-4-ium?
The InChIKey is LTOSFKXIZGVKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-3-4-9(10-2)5-7-11-8-6-9/h3-8H2,1-2H3/q+1.
What are the key properties of 4-methoxy-4-propylmorpholin-4-ium?
4-methoxy-4-propylmorpholin-4-ium has a molecular weight of 160.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propylmorpholin-4-ium is sourced from PubChem (CID 123449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).