(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine

C13H18N2 — CID 172930301

IUPAC(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine
SMILESC=N/N=C(\C)c1cc(CC)cc(CC)c1
InChIInChI=1S/C13H18N2/c1-5-11-7-12(6-2)9-13(8-11)10(3)15-14-4/h7-9H,4-6H2,1-3H3/b15-10+
InChIKeyQXHOQPXQMGWAKT-XNTDXEJSSA-N
MW202.30 g/mol
LogP3.24
Rot. Bonds4

About (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine

(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine (PubChem CID 172930301) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine.

Molecular Properties

Compound Name(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine
PubChem CID172930301
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine
SMILESC=N/N=C(\C)c1cc(CC)cc(CC)c1
InChIInChI=1S/C13H18N2/c1-5-11-7-12(6-2)9-13(8-11)10(3)15-14-4/h7-9H,4-6H2,1-3H3/b15-10+
InChIKeyQXHOQPXQMGWAKT-XNTDXEJSSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2,3-diethylphenyl)-N-(methylideneamino)ethanimine;bis((E)-1-(2,4-diethylphenyl)-N-(methylideneamino)ethanimine);(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine;ethane
CID 172966442
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
formyl chloride;1,3,5-triethylbenzene
CID 159946693
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
CID 89361495
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
CID 159329944
N-[(E)-3-(4-ethylphenyl)but-2-en-2-yl]methanimine
CID 149002722
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
(3,5-diethylphenyl)phosphane
CID 20818145
3-ethylpentane;1,3,5-triethylbenzene
CID 159585163
3-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-ethylphenyl]-1-N-[3-ethyl-5-[(Z)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]benzene-1,3-dicarboxamide
CID 176917426

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine?
The IUPAC name of (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine (CID 172930301) is (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine.
What is the SMILES notation for (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine?
The canonical SMILES for (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine is C=N/N=C(\C)c1cc(CC)cc(CC)c1.
What is the InChIKey of (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine?
The InChIKey is QXHOQPXQMGWAKT-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-11-7-12(6-2)9-13(8-11)10(3)15-14-4/h7-9H,4-6H2,1-3H3/b15-10+.
What are the key properties of (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine?
(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine has a molecular weight of 202.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine is sourced from PubChem (CID 172930301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).