N-ethylethanimine oxide

C4H9NO — CID 5984592

IUPACN-ethylethanimine oxide
SMILESCC/[N+](=C/C)/[O-]
InChIInChI=1S/C4H9NO/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3-
InChIKeyGBMIPYGHTZRCRH-HYXAFXHYSA-N
MW87.12 g/mol
LogP-0.30
Rot. Bonds1

About N-ethylethanimine oxide

N-ethylethanimine oxide (PubChem CID 5984592) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is N-ethylethanimine oxide.

Molecular Properties

Compound NameN-ethylethanimine oxide
PubChem CID5984592
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC NameN-ethylethanimine oxide
SMILESCC/[N+](=C/C)/[O-]
InChIInChI=1S/C4H9NO/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3-
InChIKeyGBMIPYGHTZRCRH-HYXAFXHYSA-N
XLogP-0.30
TPSA28.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity58

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylethanimine oxide
CID 58016285
Methanamine, N-butylidene-, N-oxide
CID 3036365
(Z)-N-(tert-butyl)ethanimine oxide
CID 13033933
N-methylpropan-1-imine oxide
CID 13542172
N-methylethanimine oxide
CID 13625543
N-methylbutan-1-imine oxide
CID 14507979
N-methylethanimine oxide
CID 21915865
N-Methylethanimine N-oxide
CID 59937459
N-methylpropan-1-imine oxide
CID 20715250
N,N'-diethylethane-1,2-diimine oxide
CID 135546992
N,N'-dimethylethane-1,2-diimine oxide
CID 139226134
N-ethylethanimine oxide
CID 11506443

Frequently Asked Questions

What is the IUPAC name of N-ethylethanimine oxide?
The IUPAC name of N-ethylethanimine oxide (CID 5984592) is N-ethylethanimine oxide.
What is the SMILES notation for N-ethylethanimine oxide?
The canonical SMILES for N-ethylethanimine oxide is CC/[N+](=C/C)/[O-].
What is the InChIKey of N-ethylethanimine oxide?
The InChIKey is GBMIPYGHTZRCRH-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-5(6)4-2/h3H,4H2,1-2H3/b5-3-.
What are the key properties of N-ethylethanimine oxide?
N-ethylethanimine oxide has a molecular weight of 87.12 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanimine oxide is sourced from PubChem (CID 5984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).