N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride

C8H17ClN2O — CID 141168137

IUPACN-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride
SMILESCC/N=C/COC/C=N/CC.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-3-9-5-7-11-8-6-10-4-2;/h5-6H,3-4,7-8H2,1-2H3;1H/b9-5+,10-6+;
InChIKeyWXTLFAUMVKTKCJ-QJQFWQJTSA-N
MW192.69 g/mol
LogP1.61
Rot. Bonds6

About N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride

N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride (PubChem CID 141168137) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride
PubChem CID141168137
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC NameN-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride
SMILESCC/N=C/COC/C=N/CC.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-3-9-5-7-11-8-6-10-4-2;/h5-6H,3-4,7-8H2,1-2H3;1H/b9-5+,10-6+;
InChIKeyWXTLFAUMVKTKCJ-QJQFWQJTSA-N
XLogP1.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-ethylethanimine
CID 22960347
N-methyl-2-(2-methyliminoethoxy)ethanimine
CID 91449680
2-prop-2-enoxy-N-prop-2-enylethanimine
CID 142023982
2-ethylimino-N,N-dimethylethanamine
CID 88957050
buta-1,3-diene;ethane;N-ethylpropan-1-imine
CID 143326323
N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride
CID 88610819
N-ethylmethanimidoyl fluoride
CID 145275129
N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
CID 139847717
N-ethyl-3,3-dimethylpent-4-en-1-imine
CID 13119720
[(E)-prop-1-enyl] N-ethylmethanimidate
CID 143570970
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
ethoxyethane;sulfane
CID 90240371

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride?
The IUPAC name of N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride (CID 141168137) is N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride?
The canonical SMILES for N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride is CC/N=C/COC/C=N/CC.Cl.
What is the InChIKey of N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride?
The InChIKey is WXTLFAUMVKTKCJ-QJQFWQJTSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-3-9-5-7-11-8-6-10-4-2;/h5-6H,3-4,7-8H2,1-2H3;1H/b9-5+,10-6+;.
What are the key properties of N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride?
N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyliminoethoxy)ethanimine;hydrochloride is sourced from PubChem (CID 141168137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).