2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium

C15H24N6+2 — CID 143373718

IUPAC2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium
SMILESCn1cc[n+](C)c1/N=N/c1ccc(NCC[NH+](C)C)cc1
InChIInChI=1S/C15H22N6/c1-19(2)10-9-16-13-5-7-14(8-6-13)17-18-15-20(3)11-12-21(15)4/h5-8,11-12H,9-10H2,1-4H3/p+2
InChIKeyGDPNKCQBXMICEQ-UHFFFAOYSA-P
MW288.40 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium

2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium (PubChem CID 143373718) has the molecular formula C15H24N6+2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium
PubChem CID143373718
Molecular FormulaC15H24N6+2
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium
SMILESCn1cc[n+](C)c1/N=N/c1ccc(NCC[NH+](C)C)cc1
InChIInChI=1S/C15H22N6/c1-19(2)10-9-16-13-5-7-14(8-6-13)17-18-15-20(3)11-12-21(15)4/h5-8,11-12H,9-10H2,1-4H3/p+2
InChIKeyGDPNKCQBXMICEQ-UHFFFAOYSA-P
XLogP0.82
TPSA50.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine dichloride
CID 130422812
1-amino-3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propan-2-ol;ethane
CID 145155320
(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
CID 58785058
N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-4-propan-2-ylaniline
CID 58992134
[[[4-[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propylamino]phenyl]diazenyl]-(methylamino)methylidene]-ethenyl-methylazanium
CID 142193063
N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;N'-(4-nitrophenyl)ethane-1,2-diamine;dichloride
CID 158354825
chloromethane;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene
CID 145155356
chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
CID 143053640
1-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-4-N-(6-methoxy-2-methylpyridazin-2-ium-3-yl)benzene-1,4-diamine
CID 21028593
N-chloro-N'-[4-(chloroamino)butyl]-N'-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butane-1,4-diamine
CID 163804345
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-[6-[3-[3-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]anilino]propyl]imidazol-3-ium-1-yl]hexyl]aniline;methanesulfonoperoxoate
CID 158737191
4-N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]cyclohexane-1,4-diamine;molecular hydrogen;chloride
CID 162096134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium?
The IUPAC name of 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium (CID 143373718) is 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium?
The canonical SMILES for 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium is Cn1cc[n+](C)c1/N=N/c1ccc(NCC[NH+](C)C)cc1.
What is the InChIKey of 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium?
The InChIKey is GDPNKCQBXMICEQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H22N6/c1-19(2)10-9-16-13-5-7-14(8-6-13)17-18-15-20(3)11-12-21(15)4/h5-8,11-12H,9-10H2,1-4H3/p+2.
What are the key properties of 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium?
2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium has a molecular weight of 288.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium is sourced from PubChem (CID 143373718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).