1,1-dimethoxyethyl(dimethyl)azanium

C6H16NO2+ — CID 6950244

IUPAC1,1-dimethoxyethyl(dimethyl)azanium
SMILESCOC(C)(OC)[NH+](C)C
InChIInChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3/p+1
InChIKeyFBZVZUSVGKOWHG-UHFFFAOYSA-O
MW134.20 g/mol
LogP-0.90
Rot. Bonds3

About 1,1-dimethoxyethyl(dimethyl)azanium

1,1-dimethoxyethyl(dimethyl)azanium (PubChem CID 6950244) has the molecular formula C6H16NO2+ and a molecular weight of 134.20 g/mol. Its IUPAC name is 1,1-dimethoxyethyl(dimethyl)azanium.

Molecular Properties

Compound Name1,1-dimethoxyethyl(dimethyl)azanium
PubChem CID6950244
Molecular FormulaC6H16NO2+
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name1,1-dimethoxyethyl(dimethyl)azanium
SMILESCOC(C)(OC)[NH+](C)C
InChIInChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3/p+1
InChIKeyFBZVZUSVGKOWHG-UHFFFAOYSA-O
XLogP-0.90
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethyl(dimethyl)azanium?
The IUPAC name of 1,1-dimethoxyethyl(dimethyl)azanium (CID 6950244) is 1,1-dimethoxyethyl(dimethyl)azanium.
What is the SMILES notation for 1,1-dimethoxyethyl(dimethyl)azanium?
The canonical SMILES for 1,1-dimethoxyethyl(dimethyl)azanium is COC(C)(OC)[NH+](C)C.
What is the InChIKey of 1,1-dimethoxyethyl(dimethyl)azanium?
The InChIKey is FBZVZUSVGKOWHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3/p+1.
What are the key properties of 1,1-dimethoxyethyl(dimethyl)azanium?
1,1-dimethoxyethyl(dimethyl)azanium has a molecular weight of 134.20 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethyl(dimethyl)azanium is sourced from PubChem (CID 6950244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).