N-methylethenamine;hydrochloride

C3H8ClN — CID 57428773

IUPACN-methylethenamine;hydrochloride
SMILESC=CNC.Cl
InChIInChI=1S/C3H7N.ClH/c1-3-4-2;/h3-4H,1H2,2H3;1H
InChIKeyAYDRNSGUTPFNQW-UHFFFAOYSA-N
MW93.56 g/mol
LogP0.77
Rot. Bonds1

About N-methylethenamine;hydrochloride

N-methylethenamine;hydrochloride (PubChem CID 57428773) has the molecular formula C3H8ClN and a molecular weight of 93.56 g/mol. Its IUPAC name is N-methylethenamine;hydrochloride.

Molecular Properties

Compound NameN-methylethenamine;hydrochloride
PubChem CID57428773
Molecular FormulaC3H8ClN
Molecular Weight93.56 g/mol
Exact Mass93.03
IUPAC NameN-methylethenamine;hydrochloride
SMILESC=CNC.Cl
InChIInChI=1S/C3H7N.ClH/c1-3-4-2;/h3-4H,1H2,2H3;1H
InChIKeyAYDRNSGUTPFNQW-UHFFFAOYSA-N
XLogP0.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.56
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methylethenamine;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-methylethenamine;hydrochloride?
The IUPAC name of N-methylethenamine;hydrochloride (CID 57428773) is N-methylethenamine;hydrochloride.
What is the SMILES notation for N-methylethenamine;hydrochloride?
The canonical SMILES for N-methylethenamine;hydrochloride is C=CNC.Cl.
What is the InChIKey of N-methylethenamine;hydrochloride?
The InChIKey is AYDRNSGUTPFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.ClH/c1-3-4-2;/h3-4H,1H2,2H3;1H.
What are the key properties of N-methylethenamine;hydrochloride?
N-methylethenamine;hydrochloride has a molecular weight of 93.56 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethenamine;hydrochloride is sourced from PubChem (CID 57428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).