(E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine

C19H30N2 — CID 59532851

IUPAC(E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine
SMILESC/C=N/N=C/c1c(C)c(C)c(CCCCCC)c(C)c1C
InChIInChI=1S/C19H30N2/c1-7-9-10-11-12-18-14(3)16(5)19(13-21-20-8-2)17(6)15(18)4/h8,13H,7,9-12H2,1-6H3/b20-8+,21-13+
InChIKeyIPKOTYLVEREFFL-PBPWZOAPSA-N
MW286.46 g/mol
LogP5.47
Rot. Bonds7

About (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine

(E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine (PubChem CID 59532851) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine
PubChem CID59532851
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine
SMILESC/C=N/N=C/c1c(C)c(C)c(CCCCCC)c(C)c1C
InChIInChI=1S/C19H30N2/c1-7-9-10-11-12-18-14(3)16(5)19(13-21-20-8-2)17(6)15(18)4/h8,13H,7,9-12H2,1-6H3/b20-8+,21-13+
InChIKeyIPKOTYLVEREFFL-PBPWZOAPSA-N
XLogP5.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine?
The IUPAC name of (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine (CID 59532851) is (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine.
What is the SMILES notation for (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine?
The canonical SMILES for (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine is C/C=N/N=C/c1c(C)c(C)c(CCCCCC)c(C)c1C.
What is the InChIKey of (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine?
The InChIKey is IPKOTYLVEREFFL-PBPWZOAPSA-N. The full InChI is InChI=1S/C19H30N2/c1-7-9-10-11-12-18-14(3)16(5)19(13-21-20-8-2)17(6)15(18)4/h8,13H,7,9-12H2,1-6H3/b20-8+,21-13+.
What are the key properties of (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine?
(E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine has a molecular weight of 286.46 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]ethanimine is sourced from PubChem (CID 59532851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).