2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde

C11H23NO3 — CID 142905886

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
SMILESC=C(C)C(=O)OCCN(C)C.C=O.CC
InChIInChI=1S/C8H15NO2.C2H6.CH2O/c1-7(2)8(10)11-6-5-9(3)4;2*1-2/h1,5-6H2,2-4H3;1-2H3;1H2
InChIKeyBSKIJNQDMOJCRJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.51
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde

2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde (PubChem CID 142905886) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
PubChem CID142905886
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
SMILESC=C(C)C(=O)OCCN(C)C.C=O.CC
InChIInChI=1S/C8H15NO2.C2H6.CH2O/c1-7(2)8(10)11-6-5-9(3)4;2*1-2/h1,5-6H2,2-4H3;1-2H3;1H2
InChIKeyBSKIJNQDMOJCRJ-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
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;ethanamine;hydrobromide
CID 175228289
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
CID 174828907
1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87743568

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde (CID 142905886) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde is C=C(C)C(=O)OCCN(C)C.C=O.CC.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde?
The InChIKey is BSKIJNQDMOJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6.CH2O/c1-7(2)8(10)11-6-5-9(3)4;2*1-2/h1,5-6H2,2-4H3;1-2H3;1H2.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde has a molecular weight of 217.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde is sourced from PubChem (CID 142905886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).