(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

C60H96N8 — CID 172966442

IUPAC(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
SMILESC=N/N=C(\C)c1cc(CC)cc(CC)c1.C=N/N=C(\C)c1ccc(CC)cc1CC.C=N/N=C(\C)c1ccc(CC)cc1CC.C=N/N=C(\C)c1cccc(CC)c1CC.CC.CC.CC.CC
InChIInChI=1S/4C13H18N2.4C2H6/c1-5-11-7-12(6-2)9-13(8-11)10(3)15-14-4;2*1-5-11-7-8-13(10(3)15-14-4)12(6-2)9-11;1-5-11-8-7-9-13(12(11)6-2)10(3)15-14-4;4*1-2/h4*7-9H,4-6H2,1-3H3;4*1-2H3/b4*15-10+;;;;
InChIKeyXPDVCIIYTYZBCI-GDHACYCQSA-N
MW929.48 g/mol
LogP17.05
Rot. Bonds16

About (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

(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 (PubChem CID 172966442) has the molecular formula C60H96N8 and a molecular weight of 929.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID172966442
Molecular FormulaC60H96N8
Molecular Weight929.48 g/mol
Exact Mass928.78
IUPAC Name(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
SMILESC=N/N=C(\C)c1cc(CC)cc(CC)c1.C=N/N=C(\C)c1ccc(CC)cc1CC.C=N/N=C(\C)c1ccc(CC)cc1CC.C=N/N=C(\C)c1cccc(CC)c1CC.CC.CC.CC.CC
InChIInChI=1S/4C13H18N2.4C2H6/c1-5-11-7-12(6-2)9-13(8-11)10(3)15-14-4;2*1-5-11-7-8-13(10(3)15-14-4)12(6-2)9-11;1-5-11-8-7-9-13(12(11)6-2)10(3)15-14-4;4*1-2/h4*7-9H,4-6H2,1-3H3;4*1-2H3/b4*15-10+;;;;
InChIKeyXPDVCIIYTYZBCI-GDHACYCQSA-N
XLogP17.05
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.48
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(E)-1-(3,5-diethylphenyl)-N-(methylideneamino)ethanimine
CID 172930301
(E)-N-[(E)-1-(2,4-diethylphenyl)ethylideneamino]propan-2-imine
CID 172923604
N-[(E)-1-(2,3-diethylphenyl)ethylideneamino]-N-methylmethanamine
CID 172928171
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
bis(N-[(Z)-1-(3,7-diethylnaphthalen-2-yl)ethylideneamino]propan-2-amine);bis((E)-N-[(E)-1-(1,5-diethylnaphthalen-2-yl)ethylideneamino]propan-2-imine);ethane
CID 172929192
2,3-diethylbenzamide;hydrofluoride
CID 175203586
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
2-(bromomethyl)-3-ethylbenzoic acid
CID 66619635
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol
CID 122626793

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=N/N=C(\C)c1cc(CC)cc(CC)c1.C=N/N=C(\C)c1ccc(CC)cc1CC.C=N/N=C(\C)c1ccc(CC)cc1CC.C=N/N=C(\C)c1cccc(CC)c1CC.CC.CC.CC.CC.
What is the InChIKey of (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?
The InChIKey is XPDVCIIYTYZBCI-GDHACYCQSA-N. The full InChI is InChI=1S/4C13H18N2.4C2H6/c1-5-11-7-12(6-2)9-13(8-11)10(3)15-14-4;2*1-5-11-7-8-13(10(3)15-14-4)12(6-2)9-11;1-5-11-8-7-9-13(12(11)6-2)10(3)15-14-4;4*1-2/h4*7-9H,4-6H2,1-3H3;4*1-2H3/b4*15-10+;;;;.
What are the key properties of (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?
(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 has a molecular weight of 929.48 g/mol, XLogP of 17.05, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 172966442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).