diethoxymethanimine;hydrochloride

C5H12ClNO2 — CID 45074582

IUPACdiethoxymethanimine;hydrochloride
SMILESCl.[H]N=C(OCC)OCC
InChIInChI=1S/C5H11NO2.ClH/c1-3-7-5(6)8-4-2;/h6H,3-4H2,1-2H3;1H
InChIKeyTUZMCRZBWLOTIZ-UHFFFAOYSA-N
MW153.61 g/mol
LogP1.42
Rot. Bonds2

About diethoxymethanimine;hydrochloride

diethoxymethanimine;hydrochloride (PubChem CID 45074582) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is diethoxymethanimine;hydrochloride.

Molecular Properties

Compound Namediethoxymethanimine;hydrochloride
PubChem CID45074582
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namediethoxymethanimine;hydrochloride
SMILESCl.[H]N=C(OCC)OCC
InChIInChI=1S/C5H11NO2.ClH/c1-3-7-5(6)8-4-2;/h6H,3-4H2,1-2H3;1H
InChIKeyTUZMCRZBWLOTIZ-UHFFFAOYSA-N
XLogP1.42
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 51.42
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'}

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Related Compounds

3,4-diethoxyhexa-2,4-diene
CID 141009141
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;hydrochloride;hydroiodide
CID 174371987
ethoxyethane;guanidine
CID 87089241
ethane;ethyl acetate;zinc
CID 158780860
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
CID 159370772
CID 159370772
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
CID 175796855
CID 175796855

Frequently Asked Questions

What is the IUPAC name of diethoxymethanimine;hydrochloride?
The IUPAC name of diethoxymethanimine;hydrochloride (CID 45074582) is diethoxymethanimine;hydrochloride.
What is the SMILES notation for diethoxymethanimine;hydrochloride?
The canonical SMILES for diethoxymethanimine;hydrochloride is Cl.[H]N=C(OCC)OCC.
What is the InChIKey of diethoxymethanimine;hydrochloride?
The InChIKey is TUZMCRZBWLOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-7-5(6)8-4-2;/h6H,3-4H2,1-2H3;1H.
What are the key properties of diethoxymethanimine;hydrochloride?
diethoxymethanimine;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethanimine;hydrochloride is sourced from PubChem (CID 45074582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).