2-(dimethylamino)ethyl 2-methylbut-2-enoate

C9H17NO2 — CID 57118536

IUPAC2-(dimethylamino)ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(2)9(11)12-7-6-10(3)4/h5H,6-7H2,1-4H3
InChIKeyXSZHWSXSZPZINJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-methylbut-2-enoate

2-(dimethylamino)ethyl 2-methylbut-2-enoate (PubChem CID 57118536) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylbut-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylbut-2-enoate
PubChem CID57118536
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(dimethylamino)ethyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(2)9(11)12-7-6-10(3)4/h5H,6-7H2,1-4H3
InChIKeyXSZHWSXSZPZINJ-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl 2-methylbut-2-enoate 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

Diethylaminoethyl Methacrylate
CID 61012
(Dimethylamino)ethyl methacrylate
CID 17869
2-(Diisopropylamino)ethyl methacrylate
CID 28003
(2-(Methacryloyloxy)ethyl)trimethylammonium chloride
CID 78738
(2-(Methacryloyloxy)ethyl)trimethylammonium methyl sulfate
CID 81318
DA-3031
CID 168302
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymer with 2-propenoic acid
CID 168580
2-Morpholinoethyl methacrylate
CID 76343
2-(Dimethylamino)ethyl hexa-2,4-dienoate
CID 86091
1,1',1''-(Nitrilotri-2,1-ethanediyl) tris(2-methyl-2-propenoate)
CID 166943
2-(Dimethylamino)ethyl methacrylate hydrochloride
CID 3014100
Eudragit E 12.5
CID 107676

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylbut-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylbut-2-enoate (CID 57118536) is 2-(dimethylamino)ethyl 2-methylbut-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylbut-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylbut-2-enoate is CC=C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylbut-2-enoate?
The InChIKey is XSZHWSXSZPZINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(2)9(11)12-7-6-10(3)4/h5H,6-7H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methylbut-2-enoate?
2-(dimethylamino)ethyl 2-methylbut-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylbut-2-enoate is sourced from PubChem (CID 57118536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).