methoxymethyl-dimethyl-propylazanium

C7H18NO+ — CID 87334195

IUPACmethoxymethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)COC
InChIInChI=1S/C7H18NO/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3/q+1
InChIKeyCYMZPHRZTDBXCR-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.08
Rot. Bonds4

About methoxymethyl-dimethyl-propylazanium

methoxymethyl-dimethyl-propylazanium (PubChem CID 87334195) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is methoxymethyl-dimethyl-propylazanium.

Molecular Properties

Compound Namemethoxymethyl-dimethyl-propylazanium
PubChem CID87334195
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Namemethoxymethyl-dimethyl-propylazanium
SMILESCCC[N+](C)(C)COC
InChIInChI=1S/C7H18NO/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3/q+1
InChIKeyCYMZPHRZTDBXCR-UHFFFAOYSA-N
XLogP1.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.08
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

butyl-(methoxymethyl)-dimethylazanium
CID 87334201
ethyl-(methoxymethyl)-methyl-propylazanium
CID 87334000
dimethyl(dipropyl)azanium chloride
CID 19774441
8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
CID 175720257
butyl-dimethyl-propylazanium;ethane
CID 156736047
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
ethyl-dimethyl-propylazanium hexafluorophosphate
CID 140620148
heptadecyl-dimethyl-propylazanium
CID 156729751
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
ethoxymethyl(tripropyl)azanium
CID 87333996
dimethyl-(methylsilylmethyl)-propylazanium
CID 123151328
(2-aminophenoxy)methyl-dimethyl-propylazanium
CID 69468499

Frequently Asked Questions

What is the IUPAC name of methoxymethyl-dimethyl-propylazanium?
The IUPAC name of methoxymethyl-dimethyl-propylazanium (CID 87334195) is methoxymethyl-dimethyl-propylazanium.
What is the SMILES notation for methoxymethyl-dimethyl-propylazanium?
The canonical SMILES for methoxymethyl-dimethyl-propylazanium is CCC[N+](C)(C)COC.
What is the InChIKey of methoxymethyl-dimethyl-propylazanium?
The InChIKey is CYMZPHRZTDBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-5-6-8(2,3)7-9-4/h5-7H2,1-4H3/q+1.
What are the key properties of methoxymethyl-dimethyl-propylazanium?
methoxymethyl-dimethyl-propylazanium has a molecular weight of 132.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl-dimethyl-propylazanium is sourced from PubChem (CID 87334195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).