2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate

C15H27NO5 — CID 159218034

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H15NO2.C7H12O3/c1-7(2)8(10)11-6-5-9(3)4;1-5(2)7(9)10-4-6(3)8/h1,5-6H2,2-4H3;6,8H,1,4H2,2-3H3
InChIKeyKRIFLOGOXVDMGI-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.15
Rot. Bonds7

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate

2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate (PubChem CID 159218034) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
PubChem CID159218034
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C8H15NO2.C7H12O3/c1-7(2)8(10)11-6-5-9(3)4;1-5(2)7(9)10-4-6(3)8/h1,5-6H2,2-4H3;6,8H,1,4H2,2-3H3
InChIKeyKRIFLOGOXVDMGI-UHFFFAOYSA-N
XLogP1.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
CID 11367867

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate (CID 159218034) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)O.C=C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
The InChIKey is KRIFLOGOXVDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C7H12O3/c1-7(2)8(10)11-6-5-9(3)4;1-5(2)7(9)10-4-6(3)8/h1,5-6H2,2-4H3;6,8H,1,4H2,2-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate has a molecular weight of 301.38 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 159218034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).