N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride

C8H19ClN2O — CID 174733111

IUPACN,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
SMILESC=CC(=O)NC.CCN(C)C.Cl
InChIInChI=1S/C4H7NO.C4H11N.ClH/c1-3-4(6)5-2;1-4-5(2)3;/h3H,1H2,2H3,(H,5,6);4H2,1-3H3;1H
InChIKeyNBJNRQTXQQGEPQ-UHFFFAOYSA-N
MW194.71 g/mol
LogP0.91
Rot. Bonds2

About N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride

N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride (PubChem CID 174733111) has the molecular formula C8H19ClN2O and a molecular weight of 194.71 g/mol. Its IUPAC name is N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
PubChem CID174733111
Molecular FormulaC8H19ClN2O
Molecular Weight194.71 g/mol
Exact Mass194.12
IUPAC NameN,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride
SMILESC=CC(=O)NC.CCN(C)C.Cl
InChIInChI=1S/C4H7NO.C4H11N.ClH/c1-3-4(6)5-2;1-4-5(2)3;/h3H,1H2,2H3,(H,5,6);4H2,1-3H3;1H
InChIKeyNBJNRQTXQQGEPQ-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride?
The IUPAC name of N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride (CID 174733111) is N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride?
The canonical SMILES for N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride is C=CC(=O)NC.CCN(C)C.Cl.
What is the InChIKey of N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride?
The InChIKey is NBJNRQTXQQGEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H11N.ClH/c1-3-4(6)5-2;1-4-5(2)3;/h3H,1H2,2H3,(H,5,6);4H2,1-3H3;1H.
What are the key properties of N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride?
N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride has a molecular weight of 194.71 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;N-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 174733111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).