ethene;methyl 2-amino-N-methylethanimidate;hydrochloride

C6H15ClN2O — CID 44784851

IUPACethene;methyl 2-amino-N-methylethanimidate;hydrochloride
SMILESC/N=C(\CN)OC.C=C.Cl
InChIInChI=1S/C4H10N2O.C2H4.ClH/c1-6-4(3-5)7-2;1-2;/h3,5H2,1-2H3;1-2H2;1H/b6-4+;;
InChIKeyDJSLNKBDEGCWAU-SLNOCBGISA-N
MW166.65 g/mol
LogP0.84
Rot. Bonds1

About ethene;methyl 2-amino-N-methylethanimidate;hydrochloride

ethene;methyl 2-amino-N-methylethanimidate;hydrochloride (PubChem CID 44784851) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is ethene;methyl 2-amino-N-methylethanimidate;hydrochloride.

Molecular Properties

Compound Nameethene;methyl 2-amino-N-methylethanimidate;hydrochloride
PubChem CID44784851
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Nameethene;methyl 2-amino-N-methylethanimidate;hydrochloride
SMILESC/N=C(\CN)OC.C=C.Cl
InChIInChI=1S/C4H10N2O.C2H4.ClH/c1-6-4(3-5)7-2;1-2;/h3,5H2,1-2H3;1-2H2;1H/b6-4+;;
InChIKeyDJSLNKBDEGCWAU-SLNOCBGISA-N
XLogP0.84
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;methyl 2-amino-N-methylethanimidate;hydrochloride?
The IUPAC name of ethene;methyl 2-amino-N-methylethanimidate;hydrochloride (CID 44784851) is ethene;methyl 2-amino-N-methylethanimidate;hydrochloride.
What is the SMILES notation for ethene;methyl 2-amino-N-methylethanimidate;hydrochloride?
The canonical SMILES for ethene;methyl 2-amino-N-methylethanimidate;hydrochloride is C/N=C(\CN)OC.C=C.Cl.
What is the InChIKey of ethene;methyl 2-amino-N-methylethanimidate;hydrochloride?
The InChIKey is DJSLNKBDEGCWAU-SLNOCBGISA-N. The full InChI is InChI=1S/C4H10N2O.C2H4.ClH/c1-6-4(3-5)7-2;1-2;/h3,5H2,1-2H3;1-2H2;1H/b6-4+;;.
What are the key properties of ethene;methyl 2-amino-N-methylethanimidate;hydrochloride?
ethene;methyl 2-amino-N-methylethanimidate;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl 2-amino-N-methylethanimidate;hydrochloride is sourced from PubChem (CID 44784851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).