dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide

C12H17IN2Se — CID 15896430

IUPACdimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
SMILESC[Se]/C(=N\C(C)=[N+](C)C)c1ccccc1.[I-]
InChIInChI=1S/C12H17N2Se.HI/c1-10(14(2)3)13-12(15-4)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H/q+1;/p-1
InChIKeyIMIUJAQMPHJJRD-UHFFFAOYSA-M
MW395.15 g/mol
LogP-1.12
Rot. Bonds2

About dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide

dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide (PubChem CID 15896430) has the molecular formula C12H17IN2Se and a molecular weight of 395.15 g/mol. Its IUPAC name is dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide.

Molecular Properties

Compound Namedimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
PubChem CID15896430
Molecular FormulaC12H17IN2Se
Molecular Weight395.15 g/mol
Exact Mass395.96
IUPAC Namedimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
SMILESC[Se]/C(=N\C(C)=[N+](C)C)c1ccccc1.[I-]
InChIInChI=1S/C12H17N2Se.HI/c1-10(14(2)3)13-12(15-4)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H/q+1;/p-1
InChIKeyIMIUJAQMPHJJRD-UHFFFAOYSA-M
XLogP-1.12
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 3046294
CID 14921038
CID 14921038
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N-[(1E)-1-(Dimethylamino)ethylidene]benzenecarboselenoamide
CID 10857982
Dimethyl-[1-[[methylsulfanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
CID 10958983
N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine
CID 10989227
[1-(Dimethylamino)-3-phenylprop-2-ynylidene]-dimethylazanium
CID 102417246
dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium
CID 135051355
3-Phenyl-N,N,N',N'-tetramethyl-1-ethyne-1-carboximidamidium bromide
CID 139083853
N-[1-(2-fluorophenyl)ethylidene]-N'-methylpropanimidamide
CID 143699769
N,N-Dimethyl-2-phenyl-N'-butyl-acetamidine
CID 525860
N,N-Dimethyl-2-phenyl-N'-pentyl-acetamidine
CID 525867

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
The IUPAC name of dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide (CID 15896430) is dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide.
What is the SMILES notation for dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
The canonical SMILES for dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide is C[Se]/C(=N\C(C)=[N+](C)C)c1ccccc1.[I-].
What is the InChIKey of dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
The InChIKey is IMIUJAQMPHJJRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N2Se.HI/c1-10(14(2)3)13-12(15-4)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide?
dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide has a molecular weight of 395.15 g/mol, XLogP of -1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide is sourced from PubChem (CID 15896430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).