dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide

C11H22BrNO2 — CID 175171875

IUPACdimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CCC.[Br-]
InChIInChI=1S/C11H22NO2.BrH/c1-7-8-12(5,6)10(4)14-11(13)9(2)3;/h10H,2,7-8H2,1,3-6H3;1H/q+1;/p-1
InChIKeyHWBREADCHONQCP-UHFFFAOYSA-M
MW280.21 g/mol
LogP-1.06
Rot. Bonds5

About dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide

dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide (PubChem CID 175171875) has the molecular formula C11H22BrNO2 and a molecular weight of 280.21 g/mol. Its IUPAC name is dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide.

Molecular Properties

Compound Namedimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
PubChem CID175171875
Molecular FormulaC11H22BrNO2
Molecular Weight280.21 g/mol
Exact Mass279.08
IUPAC Namedimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CCC.[Br-]
InChIInChI=1S/C11H22NO2.BrH/c1-7-8-12(5,6)10(4)14-11(13)9(2)3;/h10H,2,7-8H2,1,3-6H3;1H/q+1;/p-1
InChIKeyHWBREADCHONQCP-UHFFFAOYSA-M
XLogP-1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide
CID 87218117
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87570281
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 161228448
propan-2-yl 2-methylprop-2-enoate
CID 146421311

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide?
The IUPAC name of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide (CID 175171875) is dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide.
What is the SMILES notation for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide?
The canonical SMILES for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide is C=C(C)C(=O)OC(C)[N+](C)(C)CCC.[Br-].
What is the InChIKey of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide?
The InChIKey is HWBREADCHONQCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NO2.BrH/c1-7-8-12(5,6)10(4)14-11(13)9(2)3;/h10H,2,7-8H2,1,3-6H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide?
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide has a molecular weight of 280.21 g/mol, XLogP of -1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide is sourced from PubChem (CID 175171875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).