1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine

C13H18N2O2 — CID 59967575

IUPAC1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
SMILESCCc1ccc(C(=N\OC)/C(C)=N/OC)cc1
InChIInChI=1S/C13H18N2O2/c1-5-11-6-8-12(9-7-11)13(15-17-4)10(2)14-16-3/h6-9H,5H2,1-4H3/b14-10+,15-13-
InChIKeyNYPOSONSFBYZQL-BZTGPAQBSA-N
MW234.30 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine

1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine (PubChem CID 59967575) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
PubChem CID59967575
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
SMILESCCc1ccc(C(=N\OC)/C(C)=N/OC)cc1
InChIInChI=1S/C13H18N2O2/c1-5-11-6-8-12(9-7-11)13(15-17-4)10(2)14-16-3/h6-9H,5H2,1-4H3/b14-10+,15-13-
InChIKeyNYPOSONSFBYZQL-BZTGPAQBSA-N
XLogP2.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352
1-[4-(3-ethyl-1,2-oxazol-4-yl)phenyl]-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967596
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684350
alumane;1,4-diethylbenzene
CID 174296012
(E,2E)-2-hydrazinylidene-N-methoxy-1-phenylpropan-1-imine
CID 59897267
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
1-ethyl-4-(1-methoxyethenyl)benzene
CID 89277567
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
1-(4-ethylphenyl)-3-methylbut-2-en-1-imine
CID 167296423
1-(4-ethylphenyl)-N-propylethanimine
CID 146572817
N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
CID 149002722
barium(2+);bis(4-ethylbenzoate)
CID 101299929

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
The IUPAC name of 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine (CID 59967575) is 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
The canonical SMILES for 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine is CCc1ccc(C(=N\OC)/C(C)=N/OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
The InChIKey is NYPOSONSFBYZQL-BZTGPAQBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-11-6-8-12(9-7-11)13(15-17-4)10(2)14-16-3/h6-9H,5H2,1-4H3/b14-10+,15-13-.
What are the key properties of 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine?
1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine has a molecular weight of 234.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine is sourced from PubChem (CID 59967575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).