2-ethoxypropane-1,3-diimine

C5H10N2O — CID 123387663

IUPAC2-ethoxypropane-1,3-diimine
SMILES[H]/N=C/C(/C=N/[H])OCC
InChIInChI=1S/C5H10N2O/c1-2-8-5(3-6)4-7/h3-7H,2H2,1H3/b6-3+,7-4+
InChIKeyLJHYQEHOJGWDHH-XOKGJFMYSA-N
MW114.15 g/mol
LogP0.69
Rot. Bonds4

About 2-ethoxypropane-1,3-diimine

2-ethoxypropane-1,3-diimine (PubChem CID 123387663) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-ethoxypropane-1,3-diimine.

Molecular Properties

Compound Name2-ethoxypropane-1,3-diimine
PubChem CID123387663
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-ethoxypropane-1,3-diimine
SMILES[H]/N=C/C(/C=N/[H])OCC
InChIInChI=1S/C5H10N2O/c1-2-8-5(3-6)4-7/h3-7H,2H2,1H3/b6-3+,7-4+
InChIKeyLJHYQEHOJGWDHH-XOKGJFMYSA-N
XLogP0.69
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxyethyldiazene
CID 59807361
ethyl 2-methanimidoylbutanoate
CID 90815324
ethyl (2R)-2-cyano-3-iminopropanoate
CID 7070584
2-ethylbut-3-yn-1-imine
CID 91160905
2,4-dimethylhexan-1-imine
CID 88882138
methyl (2S)-2-methanimidoylbutanoate
CID 174333241
ethyl 3-hydroxy-5-imino-4-methyl-2-oxopentanoate
CID 91114703
3-imino-2-methanimidoylpentanoic acid
CID 123918891
methoxy methanimidate;2-methylbutane
CID 91144253
2-ethoxypentan-3-imine
CID 123646802
1,1-diethoxyethane
CID 7765
(4R)-4-methanimidoylhexanal
CID 174567624

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropane-1,3-diimine?
The IUPAC name of 2-ethoxypropane-1,3-diimine (CID 123387663) is 2-ethoxypropane-1,3-diimine.
What is the SMILES notation for 2-ethoxypropane-1,3-diimine?
The canonical SMILES for 2-ethoxypropane-1,3-diimine is [H]/N=C/C(/C=N/[H])OCC.
What is the InChIKey of 2-ethoxypropane-1,3-diimine?
The InChIKey is LJHYQEHOJGWDHH-XOKGJFMYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-8-5(3-6)4-7/h3-7H,2H2,1H3/b6-3+,7-4+.
What are the key properties of 2-ethoxypropane-1,3-diimine?
2-ethoxypropane-1,3-diimine has a molecular weight of 114.15 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropane-1,3-diimine is sourced from PubChem (CID 123387663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).