[anilino(dimethylamino)methylidene]-dimethylazanium

C11H18N3+ — CID 638167

IUPAC[anilino(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(Nc1ccccc1)=[N+](C)C
InChIInChI=1S/C11H17N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h5-9H,1-4H3/p+1
InChIKeyKVAONWQEUDYKTG-UHFFFAOYSA-O
MW192.29 g/mol
LogP1.29
Rot. Bonds1

About [anilino(dimethylamino)methylidene]-dimethylazanium

[anilino(dimethylamino)methylidene]-dimethylazanium (PubChem CID 638167) has the molecular formula C11H18N3+ and a molecular weight of 192.29 g/mol. Its IUPAC name is [anilino(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[anilino(dimethylamino)methylidene]-dimethylazanium
PubChem CID638167
Molecular FormulaC11H18N3+
Molecular Weight192.29 g/mol
Exact Mass192.15
IUPAC Name[anilino(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(Nc1ccccc1)=[N+](C)C
InChIInChI=1S/C11H17N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h5-9H,1-4H3/p+1
InChIKeyKVAONWQEUDYKTG-UHFFFAOYSA-O
XLogP1.29
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium
CID 139239101
[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium
CID 140927135
1-N',1-N'-dimethyl-1-N-phenylethene-1,1-diamine
CID 131994247
[anilino(dimethylamino)methylidene]rhodium
CID 54707614
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
1-chloro-1-methyl-3-phenylurea
CID 173170547
N-(3-methylbut-1-en-2-yl)aniline
CID 135251792
cobalt;N-phenylacetamide
CID 158689050
1-anilinoethylidenechromium
CID 519989
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
N,N-dimethyl-2-(phenylcarbamothioylamino)benzamide
CID 4942406
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928

Frequently Asked Questions

What is the IUPAC name of [anilino(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [anilino(dimethylamino)methylidene]-dimethylazanium (CID 638167) is [anilino(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [anilino(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [anilino(dimethylamino)methylidene]-dimethylazanium is CN(C)C(Nc1ccccc1)=[N+](C)C.
What is the InChIKey of [anilino(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is KVAONWQEUDYKTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h5-9H,1-4H3/p+1.
What are the key properties of [anilino(dimethylamino)methylidene]-dimethylazanium?
[anilino(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 192.29 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [anilino(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 638167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).