[(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide

C10H14ClIN2 — CID 14813521

IUPAC[(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide
SMILESC[N+](C)(C)/N=C/c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C10H14ClN2.HI/c1-13(2,3)12-8-9-4-6-10(11)7-5-9;/h4-8H,1-3H3;1H/q+1;/p-1/b12-8+;
InChIKeyXBMNEURMAFLVKQ-MXZHIVQLSA-M
MW324.59 g/mol
LogP-0.62
Rot. Bonds2

About [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide

[(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide (PubChem CID 14813521) has the molecular formula C10H14ClIN2 and a molecular weight of 324.59 g/mol. Its IUPAC name is [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide.

Molecular Properties

Compound Name[(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide
PubChem CID14813521
Molecular FormulaC10H14ClIN2
Molecular Weight324.59 g/mol
Exact Mass323.99
IUPAC Name[(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide
SMILESC[N+](C)(C)/N=C/c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C10H14ClN2.HI/c1-13(2,3)12-8-9-4-6-10(11)7-5-9;/h4-8H,1-3H3;1H/q+1;/p-1/b12-8+;
InChIKeyXBMNEURMAFLVKQ-MXZHIVQLSA-M
XLogP-0.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.59
LogP ≤ 5-0.62
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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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide?
The IUPAC name of [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide (CID 14813521) is [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide.
What is the SMILES notation for [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide?
The canonical SMILES for [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide is C[N+](C)(C)/N=C/c1ccc(Cl)cc1.[I-].
What is the InChIKey of [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide?
The InChIKey is XBMNEURMAFLVKQ-MXZHIVQLSA-M. The full InChI is InChI=1S/C10H14ClN2.HI/c1-13(2,3)12-8-9-4-6-10(11)7-5-9;/h4-8H,1-3H3;1H/q+1;/p-1/b12-8+;.
What are the key properties of [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide?
[(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide has a molecular weight of 324.59 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-chlorophenyl)methylideneamino]-trimethylazanium iodide is sourced from PubChem (CID 14813521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).