diethyl(dimethyl)azanium chloride

C6H16ClN — CID 22025857

IUPACdiethyl(dimethyl)azanium chloride
SMILESCC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C6H16N.ClH/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyMLGFKQNIGKTEEV-UHFFFAOYSA-M
MW137.65 g/mol
LogP-1.89
Rot. Bonds2

About diethyl(dimethyl)azanium chloride

diethyl(dimethyl)azanium chloride (PubChem CID 22025857) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is diethyl(dimethyl)azanium chloride.

Molecular Properties

Compound Namediethyl(dimethyl)azanium chloride
PubChem CID22025857
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Namediethyl(dimethyl)azanium chloride
SMILESCC[N+](C)(C)CC.[Cl-]
InChIInChI=1S/C6H16N.ClH/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyMLGFKQNIGKTEEV-UHFFFAOYSA-M
XLogP-1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl(dimethyl)azanium chloride?
The IUPAC name of diethyl(dimethyl)azanium chloride (CID 22025857) is diethyl(dimethyl)azanium chloride.
What is the SMILES notation for diethyl(dimethyl)azanium chloride?
The canonical SMILES for diethyl(dimethyl)azanium chloride is CC[N+](C)(C)CC.[Cl-].
What is the InChIKey of diethyl(dimethyl)azanium chloride?
The InChIKey is MLGFKQNIGKTEEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N.ClH/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl(dimethyl)azanium chloride?
diethyl(dimethyl)azanium chloride has a molecular weight of 137.65 g/mol, XLogP of -1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dimethyl)azanium chloride is sourced from PubChem (CID 22025857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).