2-methoxyethyl-dimethyl-propan-2-ylazanium

C8H20NO+ — CID 123576136

IUPAC2-methoxyethyl-dimethyl-propan-2-ylazanium
SMILESCOCC[N+](C)(C)C(C)C
InChIInChI=1S/C8H20NO/c1-8(2)9(3,4)6-7-10-5/h8H,6-7H2,1-5H3/q+1
InChIKeyRGCSFUPZBAUPIZ-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.12
Rot. Bonds4

About 2-methoxyethyl-dimethyl-propan-2-ylazanium

2-methoxyethyl-dimethyl-propan-2-ylazanium (PubChem CID 123576136) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methoxyethyl-dimethyl-propan-2-ylazanium.

Molecular Properties

Compound Name2-methoxyethyl-dimethyl-propan-2-ylazanium
PubChem CID123576136
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name2-methoxyethyl-dimethyl-propan-2-ylazanium
SMILESCOCC[N+](C)(C)C(C)C
InChIInChI=1S/C8H20NO/c1-8(2)9(3,4)6-7-10-5/h8H,6-7H2,1-5H3/q+1
InChIKeyRGCSFUPZBAUPIZ-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.12
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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Related Compounds

2-methoxyethyl-dimethyl-pentan-3-ylazanium
CID 152605265
2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
CID 153309185
2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium
CID 140694499
2-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
CID 155766203
dimethyl-propan-2-yl-(2-sulfooxyethyl)azanium
CID 59371914
2-[dimethyl(propan-2-yl)azaniumyl]ethyl sulfate
CID 59400064
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 155766204
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
CID 160720515
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
2-[hydroxy(octadecoxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 164941050
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-dimethyl-propan-2-ylazanium?
The IUPAC name of 2-methoxyethyl-dimethyl-propan-2-ylazanium (CID 123576136) is 2-methoxyethyl-dimethyl-propan-2-ylazanium.
What is the SMILES notation for 2-methoxyethyl-dimethyl-propan-2-ylazanium?
The canonical SMILES for 2-methoxyethyl-dimethyl-propan-2-ylazanium is COCC[N+](C)(C)C(C)C.
What is the InChIKey of 2-methoxyethyl-dimethyl-propan-2-ylazanium?
The InChIKey is RGCSFUPZBAUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-8(2)9(3,4)6-7-10-5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of 2-methoxyethyl-dimethyl-propan-2-ylazanium?
2-methoxyethyl-dimethyl-propan-2-ylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-dimethyl-propan-2-ylazanium is sourced from PubChem (CID 123576136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).