diethyl(dimethyl)azanium;prop-2-enamide

C9H21N2O+ — CID 19752026

IUPACdiethyl(dimethyl)azanium;prop-2-enamide
SMILESC=CC(N)=O.CC[N+](C)(C)CC
InChIInChI=1S/C6H16N.C3H5NO/c1-5-7(3,4)6-2;1-2-3(4)5/h5-6H2,1-4H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyPOQPOUXTSKWDDX-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.76
Rot. Bonds3

About diethyl(dimethyl)azanium;prop-2-enamide

diethyl(dimethyl)azanium;prop-2-enamide (PubChem CID 19752026) has the molecular formula C9H21N2O+ and a molecular weight of 173.28 g/mol. Its IUPAC name is diethyl(dimethyl)azanium;prop-2-enamide.

Molecular Properties

Compound Namediethyl(dimethyl)azanium;prop-2-enamide
PubChem CID19752026
Molecular FormulaC9H21N2O+
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Namediethyl(dimethyl)azanium;prop-2-enamide
SMILESC=CC(N)=O.CC[N+](C)(C)CC
InChIInChI=1S/C6H16N.C3H5NO/c1-5-7(3,4)6-2;1-2-3(4)5/h5-6H2,1-4H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyPOQPOUXTSKWDDX-UHFFFAOYSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

prop-2-enamide;tetraethylazanium
CID 160757497
ethyl-dimethyl-octylazanium;prop-2-enamide;chloride
CID 160519683
CID 172708986
CID 172708986
CID 118976628
CID 118976628
ethyl-dimethyl-(2-methylprop-2-enoyloxymethyl)azanium;prop-2-enamide;chloride
CID 162083894
pentane;prop-2-enamide
CID 139391622
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
CID 174934724
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
hexadecyl-dimethyl-propylazanium;prop-2-enamide;chloride
CID 175133844

Frequently Asked Questions

What is the IUPAC name of diethyl(dimethyl)azanium;prop-2-enamide?
The IUPAC name of diethyl(dimethyl)azanium;prop-2-enamide (CID 19752026) is diethyl(dimethyl)azanium;prop-2-enamide.
What is the SMILES notation for diethyl(dimethyl)azanium;prop-2-enamide?
The canonical SMILES for diethyl(dimethyl)azanium;prop-2-enamide is C=CC(N)=O.CC[N+](C)(C)CC.
What is the InChIKey of diethyl(dimethyl)azanium;prop-2-enamide?
The InChIKey is POQPOUXTSKWDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N.C3H5NO/c1-5-7(3,4)6-2;1-2-3(4)5/h5-6H2,1-4H3;2H,1H2,(H2,4,5)/q+1;.
What are the key properties of diethyl(dimethyl)azanium;prop-2-enamide?
diethyl(dimethyl)azanium;prop-2-enamide has a molecular weight of 173.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dimethyl)azanium;prop-2-enamide is sourced from PubChem (CID 19752026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).