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

C10H23BrN2O2 — CID 175228289

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
SMILESBr.C=C(C)C(=O)OCCN(C)C.CCN
InChIInChI=1S/C8H15NO2.C2H7N.BrH/c1-7(2)8(10)11-6-5-9(3)4;1-2-3;/h1,5-6H2,2-4H3;2-3H2,1H3;1H
InChIKeySGYHMEJHKBUNEG-UHFFFAOYSA-N
MW283.21 g/mol
LogP1.21
Rot. Bonds4

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

2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide (PubChem CID 175228289) has the molecular formula C10H23BrN2O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
PubChem CID175228289
Molecular FormulaC10H23BrN2O2
Molecular Weight283.21 g/mol
Exact Mass282.09
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
SMILESBr.C=C(C)C(=O)OCCN(C)C.CCN
InChIInChI=1S/C8H15NO2.C2H7N.BrH/c1-7(2)8(10)11-6-5-9(3)4;1-2-3;/h1,5-6H2,2-4H3;2-3H2,1H3;1H
InChIKeySGYHMEJHKBUNEG-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87743568
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide (CID 175228289) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide is Br.C=C(C)C(=O)OCCN(C)C.CCN.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide?
The InChIKey is SGYHMEJHKBUNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H7N.BrH/c1-7(2)8(10)11-6-5-9(3)4;1-2-3;/h1,5-6H2,2-4H3;2-3H2,1H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide has a molecular weight of 283.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide is sourced from PubChem (CID 175228289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).