[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide

C11H16BrIN2 — CID 54612261

IUPAC[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
SMILESC/C(=N\[N+](C)(C)C)c1ccc(Br)cc1.[I-]
InChIInChI=1S/C11H16BrN2.HI/c1-9(13-14(2,3)4)10-5-7-11(12)8-6-10;/h5-8H,1-4H3;1H/q+1;/p-1/b13-9+;
InChIKeyNBMRFVGMEBTPSE-KJEVSKRMSA-M
MW383.07 g/mol
LogP-0.12
Rot. Bonds2

About [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide

[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide (PubChem CID 54612261) has the molecular formula C11H16BrIN2 and a molecular weight of 383.07 g/mol. Its IUPAC name is [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide.

Molecular Properties

Compound Name[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
PubChem CID54612261
Molecular FormulaC11H16BrIN2
Molecular Weight383.07 g/mol
Exact Mass381.95
IUPAC Name[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide
SMILESC/C(=N\[N+](C)(C)C)c1ccc(Br)cc1.[I-]
InChIInChI=1S/C11H16BrN2.HI/c1-9(13-14(2,3)4)10-5-7-11(12)8-6-10;/h5-8H,1-4H3;1H/q+1;/p-1/b13-9+;
InChIKeyNBMRFVGMEBTPSE-KJEVSKRMSA-M
XLogP-0.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.07
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2826848
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
(Z)-1-(4-bromophenyl)prop-1-ene-1,2-dithiol
CID 88897319
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
(Z)-4-(4-bromophenyl)pent-3-en-2-one
CID 23336317
(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
CID 174942428
benzene;1-(4-bromophenyl)ethanone
CID 174710467
bis([(Z)-1-(4-bromophenyl)-3-hydroxybut-2-enylidene]oxidanium);titanium
CID 22834292
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide?
The IUPAC name of [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide (CID 54612261) is [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide.
What is the SMILES notation for [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide?
The canonical SMILES for [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide is C/C(=N\[N+](C)(C)C)c1ccc(Br)cc1.[I-].
What is the InChIKey of [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide?
The InChIKey is NBMRFVGMEBTPSE-KJEVSKRMSA-M. The full InChI is InChI=1S/C11H16BrN2.HI/c1-9(13-14(2,3)4)10-5-7-11(12)8-6-10;/h5-8H,1-4H3;1H/q+1;/p-1/b13-9+;.
What are the key properties of [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide?
[(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide has a molecular weight of 383.07 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-bromophenyl)ethylideneamino]-trimethylazanium iodide is sourced from PubChem (CID 54612261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).