1H-imidazole;tetrabutylazanium

C19H40N3+ — CID 175066888

IUPAC1H-imidazole;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.c1c[nH]cn1
InChIInChI=1S/C16H36N.C3H4N2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-5-3-4-1/h5-16H2,1-4H3;1-3H,(H,4,5)/q+1;
InChIKeyINHWAGXLXJACOD-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.41
Rot. Bonds12

About 1H-imidazole;tetrabutylazanium

1H-imidazole;tetrabutylazanium (PubChem CID 175066888) has the molecular formula C19H40N3+ and a molecular weight of 310.55 g/mol. Its IUPAC name is 1H-imidazole;tetrabutylazanium.

Molecular Properties

Compound Name1H-imidazole;tetrabutylazanium
PubChem CID175066888
Molecular FormulaC19H40N3+
Molecular Weight310.55 g/mol
Exact Mass310.32
IUPAC Name1H-imidazole;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.c1c[nH]cn1
InChIInChI=1S/C16H36N.C3H4N2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-5-3-4-1/h5-16H2,1-4H3;1-3H,(H,4,5)/q+1;
InChIKeyINHWAGXLXJACOD-UHFFFAOYSA-N
XLogP5.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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copper;1H-imidazole
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bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
tetrabutylazanium;chloride;hydrobromide
CID 160850218
gold(3+);tetrabutylazanium;tetrachloride
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cerium(4+);1H-imidazole
CID 175891649
CID 175227621
CID 175227621
1H-imidazole;tetrahydrochloride
CID 141350371
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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;tetrabutylazanium?
The IUPAC name of 1H-imidazole;tetrabutylazanium (CID 175066888) is 1H-imidazole;tetrabutylazanium.
What is the SMILES notation for 1H-imidazole;tetrabutylazanium?
The canonical SMILES for 1H-imidazole;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;tetrabutylazanium?
The InChIKey is INHWAGXLXJACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C3H4N2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-5-3-4-1/h5-16H2,1-4H3;1-3H,(H,4,5)/q+1;.
What are the key properties of 1H-imidazole;tetrabutylazanium?
1H-imidazole;tetrabutylazanium has a molecular weight of 310.55 g/mol, XLogP of 5.41, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;tetrabutylazanium is sourced from PubChem (CID 175066888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).