1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide

C8H16BrNO2 — CID 19073826

IUPAC1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
SMILESBr.C=C(C)C(=O)OC(C)N(C)C
InChIInChI=1S/C8H15NO2.BrH/c1-6(2)8(10)11-7(3)9(4)5;/h7H,1H2,2-5H3;1H
InChIKeyRNWHAEHCFDGKED-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.59
Rot. Bonds3

About 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide

1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide (PubChem CID 19073826) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
PubChem CID19073826
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Name1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
SMILESBr.C=C(C)C(=O)OC(C)N(C)C
InChIInChI=1S/C8H15NO2.BrH/c1-6(2)8(10)11-7(3)9(4)5;/h7H,1H2,2-5H3;1H
InChIKeyRNWHAEHCFDGKED-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide 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

1-(dimethylamino)ethyl 2-methylprop-2-enoate;phenylmethanamine
CID 174596422
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(dimethylamino)ethyl 2-methylprop-2-enoate;2-methylhex-2-enamide
CID 174925425
1-[acetyl(chloro)amino]ethyl 2-methylprop-2-enoate
CID 19987096
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
1-[methyl(pyridin-4-yl)amino]ethyl 2-methylprop-2-enoate
CID 175593716
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
CID 87516438
CID 87516438

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide?
The IUPAC name of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide (CID 19073826) is 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide?
The canonical SMILES for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide is Br.C=C(C)C(=O)OC(C)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide?
The InChIKey is RNWHAEHCFDGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.BrH/c1-6(2)8(10)11-7(3)9(4)5;/h7H,1H2,2-5H3;1H.
What are the key properties of 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide?
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide has a molecular weight of 238.12 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide is sourced from PubChem (CID 19073826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).