1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine

C14H23N7 — CID 59318646

IUPAC1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine
SMILESCCn1c(N=NNc2nc(C)c(C)n2CC)nc(C)c1C
InChIInChI=1S/C14H23N7/c1-7-20-11(5)9(3)15-13(20)17-19-18-14-16-10(4)12(6)21(14)8-2/h7-8H2,1-6H3,(H,15,16,17,18)
InChIKeyDMNIJMDTFDFIEH-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.46
Rot. Bonds5

About 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine

1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine (PubChem CID 59318646) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine
PubChem CID59318646
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine
SMILESCCn1c(N=NNc2nc(C)c(C)n2CC)nc(C)c1C
InChIInChI=1S/C14H23N7/c1-7-20-11(5)9(3)15-13(20)17-19-18-14-16-10(4)12(6)21(14)8-2/h7-8H2,1-6H3,(H,15,16,17,18)
InChIKeyDMNIJMDTFDFIEH-UHFFFAOYSA-N
XLogP3.46
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine?
The IUPAC name of 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine (CID 59318646) is 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine is CCn1c(N=NNc2nc(C)c(C)n2CC)nc(C)c1C.
What is the InChIKey of 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine?
The InChIKey is DMNIJMDTFDFIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-7-20-11(5)9(3)15-13(20)17-19-18-14-16-10(4)12(6)21(14)8-2/h7-8H2,1-6H3,(H,15,16,17,18).
What are the key properties of 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine?
1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine is sourced from PubChem (CID 59318646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).