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

C8H16ClNO2 — CID 3014100

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCN(C)C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H
InChIKeyJCRDPEHHTDKTGB-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.09
Rot. Bonds4

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

2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 3014100) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride
PubChem CID3014100
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCN(C)C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H
InChIKeyJCRDPEHHTDKTGB-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride (CID 3014100) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCCN(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is JCRDPEHHTDKTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-7(2)8(10)11-6-5-9(3)4;/h1,5-6H2,2-4H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.09, 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-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 3014100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).