2-methoxyethyl-dimethyl-pentan-3-ylazanium

C10H24NO+ — CID 152605265

IUPAC2-methoxyethyl-dimethyl-pentan-3-ylazanium
SMILESCCC(CC)[N+](C)(C)CCOC
InChIInChI=1S/C10H24NO/c1-6-10(7-2)11(3,4)8-9-12-5/h10H,6-9H2,1-5H3/q+1
InChIKeyYYJDNPBBSWDQNF-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.90
Rot. Bonds6

About 2-methoxyethyl-dimethyl-pentan-3-ylazanium

2-methoxyethyl-dimethyl-pentan-3-ylazanium (PubChem CID 152605265) has the molecular formula C10H24NO+ and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-methoxyethyl-dimethyl-pentan-3-ylazanium.

Molecular Properties

Compound Name2-methoxyethyl-dimethyl-pentan-3-ylazanium
PubChem CID152605265
Molecular FormulaC10H24NO+
Molecular Weight174.31 g/mol
Exact Mass174.19
IUPAC Name2-methoxyethyl-dimethyl-pentan-3-ylazanium
SMILESCCC(CC)[N+](C)(C)CCOC
InChIInChI=1S/C10H24NO/c1-6-10(7-2)11(3,4)8-9-12-5/h10H,6-9H2,1-5H3/q+1
InChIKeyYYJDNPBBSWDQNF-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.90
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-propan-2-ylazanium
CID 123576136
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
dimethyl-(5-methylhexyl)-pentan-3-ylazanium
CID 123383446
triethyl(2-methoxyethyl)azanium
CID 3026728
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
CID 160720515
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 146629304
hexyl-(2-methoxyethyl)-dimethylazanium
CID 86100928
2-methoxyethyl-methyl-dioctylazanium
CID 19839301
hexyl-(2-methoxyethyl)-dimethylazanium bromide
CID 86100927
diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
CID 157061128

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-dimethyl-pentan-3-ylazanium?
The IUPAC name of 2-methoxyethyl-dimethyl-pentan-3-ylazanium (CID 152605265) is 2-methoxyethyl-dimethyl-pentan-3-ylazanium.
What is the SMILES notation for 2-methoxyethyl-dimethyl-pentan-3-ylazanium?
The canonical SMILES for 2-methoxyethyl-dimethyl-pentan-3-ylazanium is CCC(CC)[N+](C)(C)CCOC.
What is the InChIKey of 2-methoxyethyl-dimethyl-pentan-3-ylazanium?
The InChIKey is YYJDNPBBSWDQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO/c1-6-10(7-2)11(3,4)8-9-12-5/h10H,6-9H2,1-5H3/q+1.
What are the key properties of 2-methoxyethyl-dimethyl-pentan-3-ylazanium?
2-methoxyethyl-dimethyl-pentan-3-ylazanium has a molecular weight of 174.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-dimethyl-pentan-3-ylazanium is sourced from PubChem (CID 152605265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).