dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide

C10H21BrN2O — CID 87673706

IUPACdimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide
SMILESC=C(C)C(=O)NC[N+](C)(C)CCC.[Br-]
InChIInChI=1S/C10H20N2O.BrH/c1-6-7-12(4,5)8-11-10(13)9(2)3;/h2,6-8H2,1,3-5H3;1H
InChIKeySTYDHDXJCZFGDF-UHFFFAOYSA-N
MW265.19 g/mol
LogP-1.87
Rot. Bonds5

About dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide

dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide (PubChem CID 87673706) has the molecular formula C10H21BrN2O and a molecular weight of 265.19 g/mol. Its IUPAC name is dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide.

Molecular Properties

Compound Namedimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide
PubChem CID87673706
Molecular FormulaC10H21BrN2O
Molecular Weight265.19 g/mol
Exact Mass264.08
IUPAC Namedimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide
SMILESC=C(C)C(=O)NC[N+](C)(C)CCC.[Br-]
InChIInChI=1S/C10H20N2O.BrH/c1-6-7-12(4,5)8-11-10(13)9(2)3;/h2,6-8H2,1,3-5H3;1H
InChIKeySTYDHDXJCZFGDF-UHFFFAOYSA-N
XLogP-1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
[3-[dimethyl-[(2-methylprop-2-enoylamino)methyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium;ethene;methane
CID 160738294
chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
CID 174765196
3-[(2-methylprop-2-enoylamino)methyl-dipropylazaniumyl]propane-1-sulfonate
CID 134346443
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
[2,3-dihydroxy-1-(2-methylprop-2-enoylamino)propyl]-dimethyl-propylazanium chloride
CID 88595619
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669
dimethyl-[1-(2-methylprop-2-enoylamino)ethyl]-propylazanium
CID 140958393
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide?
The IUPAC name of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide (CID 87673706) is dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide.
What is the SMILES notation for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide?
The canonical SMILES for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide is C=C(C)C(=O)NC[N+](C)(C)CCC.[Br-].
What is the InChIKey of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide?
The InChIKey is STYDHDXJCZFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.BrH/c1-6-7-12(4,5)8-11-10(13)9(2)3;/h2,6-8H2,1,3-5H3;1H.
What are the key properties of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide?
dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide has a molecular weight of 265.19 g/mol, XLogP of -1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium bromide is sourced from PubChem (CID 87673706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).