2-decyl-1-methyl-1H-imidazol-1-ium bromide

C14H27BrN2 — CID 68784001

IUPAC2-decyl-1-methyl-1H-imidazol-1-ium bromide
SMILESCCCCCCCCCCC1=NC=C[NH+]1C.[Br-]
InChIInChI=1S/C14H26N2.BrH/c1-3-4-5-6-7-8-9-10-11-14-15-12-13-16(14)2;/h12-13H,3-11H2,1-2H3;1H
InChIKeyVWNURQHJPYEHNT-UHFFFAOYSA-N
MW303.29 g/mol
LogP-0.08
Rot. Bonds9

About 2-decyl-1-methyl-1H-imidazol-1-ium bromide

2-decyl-1-methyl-1H-imidazol-1-ium bromide (PubChem CID 68784001) has the molecular formula C14H27BrN2 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-decyl-1-methyl-1H-imidazol-1-ium bromide.

Molecular Properties

Compound Name2-decyl-1-methyl-1H-imidazol-1-ium bromide
PubChem CID68784001
Molecular FormulaC14H27BrN2
Molecular Weight303.29 g/mol
Exact Mass302.14
IUPAC Name2-decyl-1-methyl-1H-imidazol-1-ium bromide
SMILESCCCCCCCCCCC1=NC=C[NH+]1C.[Br-]
InChIInChI=1S/C14H26N2.BrH/c1-3-4-5-6-7-8-9-10-11-14-15-12-13-16(14)2;/h12-13H,3-11H2,1-2H3;1H
InChIKeyVWNURQHJPYEHNT-UHFFFAOYSA-N
XLogP-0.08
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-1H-1,3-diazepine
CID 91448328
1-decyl-1H-imidazol-1-ium
CID 17841393
1-decyl-1H-imidazol-1-ium bromide
CID 23075134
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
1-hexadecyl-1H-imidazol-1-ium bromide
CID 66717879
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
CID 66932678
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1-methyl-1H-imidazol-1-ium bromide?
The IUPAC name of 2-decyl-1-methyl-1H-imidazol-1-ium bromide (CID 68784001) is 2-decyl-1-methyl-1H-imidazol-1-ium bromide.
What is the SMILES notation for 2-decyl-1-methyl-1H-imidazol-1-ium bromide?
The canonical SMILES for 2-decyl-1-methyl-1H-imidazol-1-ium bromide is CCCCCCCCCCC1=NC=C[NH+]1C.[Br-].
What is the InChIKey of 2-decyl-1-methyl-1H-imidazol-1-ium bromide?
The InChIKey is VWNURQHJPYEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.BrH/c1-3-4-5-6-7-8-9-10-11-14-15-12-13-16(14)2;/h12-13H,3-11H2,1-2H3;1H.
What are the key properties of 2-decyl-1-methyl-1H-imidazol-1-ium bromide?
2-decyl-1-methyl-1H-imidazol-1-ium bromide has a molecular weight of 303.29 g/mol, XLogP of -0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1-methyl-1H-imidazol-1-ium bromide is sourced from PubChem (CID 68784001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).