2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane

C14H36NO3+ — CID 160720515

IUPAC2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
SMILESCCCOC.COC(C)C.COCC[N+](C)(C)C
InChIInChI=1S/C6H16NO.2C4H10O/c1-7(2,3)5-6-8-4;1-4(2)5-3;1-3-4-5-2/h5-6H2,1-4H3;4H,1-3H3;3-4H2,1-2H3/q+1;;
InChIKeyRTASRSMDRPJELO-UHFFFAOYSA-N
MW266.45 g/mol
LogP2.42
Rot. Bonds6

About 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane

2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane (PubChem CID 160720515) has the molecular formula C14H36NO3+ and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane.

Molecular Properties

Compound Name2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
PubChem CID160720515
Molecular FormulaC14H36NO3+
Molecular Weight266.45 g/mol
Exact Mass266.27
IUPAC Name2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
SMILESCCCOC.COC(C)C.COCC[N+](C)(C)C
InChIInChI=1S/C6H16NO.2C4H10O/c1-7(2,3)5-6-8-4;1-4(2)5-3;1-3-4-5-2/h5-6H2,1-4H3;4H,1-3H3;3-4H2,1-2H3/q+1;;
InChIKeyRTASRSMDRPJELO-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane
CID 161408985
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
2-methoxyethyl-dimethyl-propan-2-ylazanium
CID 123576136
3-methoxypentane;1-methoxypropane
CID 54391478
2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 163641809
2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium
CID 21028953
ethane;1-methoxypropane;propane
CID 145001283
sodium;hydride;1-methoxypropane
CID 174682746
fluoromethane;1-methoxypropane
CID 54348192
ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693760

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane?
The IUPAC name of 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane (CID 160720515) is 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane.
What is the SMILES notation for 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane?
The canonical SMILES for 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane is CCCOC.COC(C)C.COCC[N+](C)(C)C.
What is the InChIKey of 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane?
The InChIKey is RTASRSMDRPJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.2C4H10O/c1-7(2,3)5-6-8-4;1-4(2)5-3;1-3-4-5-2/h5-6H2,1-4H3;4H,1-3H3;3-4H2,1-2H3/q+1;;.
What are the key properties of 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane?
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane has a molecular weight of 266.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane is sourced from PubChem (CID 160720515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).