ethyl-(methoxymethyl)-methyl-propylazanium

C8H20NO+ — CID 87334000

IUPACethyl-(methoxymethyl)-methyl-propylazanium
SMILESCCC[N+](C)(CC)COC
InChIInChI=1S/C8H20NO/c1-5-7-9(3,6-2)8-10-4/h5-8H2,1-4H3/q+1
InChIKeyBPJRIMYDFCYEAA-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.47
Rot. Bonds5

About ethyl-(methoxymethyl)-methyl-propylazanium

ethyl-(methoxymethyl)-methyl-propylazanium (PubChem CID 87334000) has the molecular formula C8H20NO+ and a molecular weight of 146.25 g/mol. Its IUPAC name is ethyl-(methoxymethyl)-methyl-propylazanium.

Molecular Properties

Compound Nameethyl-(methoxymethyl)-methyl-propylazanium
PubChem CID87334000
Molecular FormulaC8H20NO+
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Nameethyl-(methoxymethyl)-methyl-propylazanium
SMILESCCC[N+](C)(CC)COC
InChIInChI=1S/C8H20NO/c1-5-7-9(3,6-2)8-10-4/h5-8H2,1-4H3/q+1
InChIKeyBPJRIMYDFCYEAA-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

methoxymethyl-dimethyl-propylazanium
CID 87334195
diethyl-(methoxymethyl)-methylazanium;propanoate
CID 140577543
diethyl-methyl-propylazanium;2-methoxyacetate
CID 118645672
bromomethyl-ethyl-methyl-propylazanium
CID 123781135
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
butyl-(methoxymethyl)-dimethylazanium
CID 87334201
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
diethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-methylazanium
CID 90306950
diethyl-[2-(2-methoxyethoxy)ethyl]-methylazanium chloride
CID 167445594
2-carboxyethyl-ethyl-methyl-propylazanium
CID 159284407

Frequently Asked Questions

What is the IUPAC name of ethyl-(methoxymethyl)-methyl-propylazanium?
The IUPAC name of ethyl-(methoxymethyl)-methyl-propylazanium (CID 87334000) is ethyl-(methoxymethyl)-methyl-propylazanium.
What is the SMILES notation for ethyl-(methoxymethyl)-methyl-propylazanium?
The canonical SMILES for ethyl-(methoxymethyl)-methyl-propylazanium is CCC[N+](C)(CC)COC.
What is the InChIKey of ethyl-(methoxymethyl)-methyl-propylazanium?
The InChIKey is BPJRIMYDFCYEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO/c1-5-7-9(3,6-2)8-10-4/h5-8H2,1-4H3/q+1.
What are the key properties of ethyl-(methoxymethyl)-methyl-propylazanium?
ethyl-(methoxymethyl)-methyl-propylazanium has a molecular weight of 146.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(methoxymethyl)-methyl-propylazanium is sourced from PubChem (CID 87334000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).