2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide

C10H23BrN2O — CID 172726865

IUPAC2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C6H16N.C4H7NO.BrH/c1-5-6-7(2,3)4;1-3(2)4(5)6;/h5-6H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1
InChIKeyHGLOOTFZQKVEBP-UHFFFAOYSA-M
MW267.21 g/mol
LogP-1.85
Rot. Bonds3

About 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide

2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide (PubChem CID 172726865) has the molecular formula C10H23BrN2O and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide.

Molecular Properties

Compound Name2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide
PubChem CID172726865
Molecular FormulaC10H23BrN2O
Molecular Weight267.21 g/mol
Exact Mass266.10
IUPAC Name2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C6H16N.C4H7NO.BrH/c1-5-6-7(2,3)4;1-3(2)4(5)6;/h5-6H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1
InChIKeyHGLOOTFZQKVEBP-UHFFFAOYSA-M
XLogP-1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 5-1.85
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

2-methylprop-2-enamide;trimethyl(propyl)azanium;hydroxide
CID 23175266
bis(2-methylprop-2-enamide);bis(trimethyl(propyl)azanium);sulfate
CID 19069947
decane-1-sulfonate;2-methylprop-2-enamide;trimethyl(propyl)azanium
CID 89051576
ethyl(trimethyl)azanium;2-methylprop-2-enamide;chloride;hydrate
CID 175420693
2-methylprop-2-enamide;methyl prop-2-enoate;prop-2-enoic acid;trimethyl(propyl)azanium;chloride
CID 161415798
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
2-methylprop-2-enamide;hydrate
CID 88749193
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
2-methylprop-2-enamide;propane-1-sulfonic acid
CID 22719384
prop-2-enoate;bis(trimethyl(propyl)azanium);chloride
CID 161434994
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide?
The IUPAC name of 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide (CID 172726865) is 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide.
What is the SMILES notation for 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide?
The canonical SMILES for 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide is C=C(C)C(N)=O.CCC[N+](C)(C)C.[Br-].
What is the InChIKey of 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide?
The InChIKey is HGLOOTFZQKVEBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N.C4H7NO.BrH/c1-5-6-7(2,3)4;1-3(2)4(5)6;/h5-6H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1.
What are the key properties of 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide?
2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide has a molecular weight of 267.21 g/mol, XLogP of -1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;trimethyl(propyl)azanium;bromide is sourced from PubChem (CID 172726865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).