[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium

C18H24N5+ — CID 140927135

IUPAC[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N=C(Nc1ccccc1)Nc1ccccc1)=[N+](C)C
InChIInChI=1S/C18H23N5/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,1-4H3,(H,19,20)/p+1
InChIKeyWDZDIXSMBYJVLB-UHFFFAOYSA-O
MW310.43 g/mol
LogP2.76
Rot. Bonds2

About [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium

[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 140927135) has the molecular formula C18H24N5+ and a molecular weight of 310.43 g/mol. Its IUPAC name is [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium
PubChem CID140927135
Molecular FormulaC18H24N5+
Molecular Weight310.43 g/mol
Exact Mass310.20
IUPAC Name[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N=C(Nc1ccccc1)Nc1ccccc1)=[N+](C)C
InChIInChI=1S/C18H23N5/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,1-4H3,(H,19,20)/p+1
InChIKeyWDZDIXSMBYJVLB-UHFFFAOYSA-O
XLogP2.76
TPSA42.67 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
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

[anilino(dimethylamino)methylidene]-dimethylazanium
CID 638167
1-N',1-N'-dimethyl-1-N-phenylethene-1,1-diamine
CID 131994247
[anilino(dimethylamino)methylidene]rhodium
CID 54707614
1-chloro-1-methyl-3-phenylurea
CID 173170547
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
1-ethyl-2-methyl-3-phenylguanidine
CID 140989198
methyl N'-(dimethylcarbamoyl)-N-(phenylcarbamoyl)carbamimidothioate
CID 54294265
N'-[[[anilino(phenyl)methylidene]amino]-(dimethylamino)-methylsilyl]-N-phenylbenzenecarboximidamide
CID 139156190
[dimethylamino-[3-[[3-[[dimethylamino(dimethylazaniumylidene)methyl]amino]phenyl]-phenylphosphanyl]anilino]methylidene]-dimethylazanium
CID 139239101
1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187
N-(N'-methyl-N-phenylcarbamimidoyl)acetamide
CID 57075096

Frequently Asked Questions

What is the IUPAC name of [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium (CID 140927135) is [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N=C(Nc1ccccc1)Nc1ccccc1)=[N+](C)C.
What is the InChIKey of [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is WDZDIXSMBYJVLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N5/c1-22(2)18(23(3)4)21-17(19-15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,1-4H3,(H,19,20)/p+1.
What are the key properties of [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium?
[(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 310.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(dianilinomethylideneamino)-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 140927135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).