2,2-dihexyl-1,1-dimethylimidazolidin-1-ium

C17H37N2+ — CID 67228955

IUPAC2,2-dihexyl-1,1-dimethylimidazolidin-1-ium
SMILESCCCCCCC1(CCCCCC)NCC[N+]1(C)C
InChIInChI=1S/C17H37N2/c1-5-7-9-11-13-17(14-12-10-8-6-2)18-15-16-19(17,3)4/h18H,5-16H2,1-4H3/q+1
InChIKeyVSOVFIBIJFMVNF-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.30
Rot. Bonds10

About 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium

2,2-dihexyl-1,1-dimethylimidazolidin-1-ium (PubChem CID 67228955) has the molecular formula C17H37N2+ and a molecular weight of 269.50 g/mol. Its IUPAC name is 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium.

Molecular Properties

Compound Name2,2-dihexyl-1,1-dimethylimidazolidin-1-ium
PubChem CID67228955
Molecular FormulaC17H37N2+
Molecular Weight269.50 g/mol
Exact Mass269.30
IUPAC Name2,2-dihexyl-1,1-dimethylimidazolidin-1-ium
SMILESCCCCCCC1(CCCCCC)NCC[N+]1(C)C
InChIInChI=1S/C17H37N2/c1-5-7-9-11-13-17(14-12-10-8-6-2)18-15-16-19(17,3)4/h18H,5-16H2,1-4H3/q+1
InChIKeyVSOVFIBIJFMVNF-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibutyl-1,1-dimethylpiperazin-1-ium
CID 67229366
1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350
(2-heptadecylimidazolidin-2-yl)methanol
CID 141387929
2-dodecyl-2-propan-2-ylpyrrolidine
CID 66468316
2-butyl-2-hexylpyrrolidine
CID 174534205
1-icosyl-1,4,4,7,7-pentamethyl-1,4,7-triazonane-1,4,7-triium
CID 134450987
1-hexyl-N-methylcyclopropan-1-amine
CID 142399349
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
2-tert-butyl-2-nonylpyrrolidine
CID 66468101
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium?
The IUPAC name of 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium (CID 67228955) is 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium.
What is the SMILES notation for 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium?
The canonical SMILES for 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium is CCCCCCC1(CCCCCC)NCC[N+]1(C)C.
What is the InChIKey of 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium?
The InChIKey is VSOVFIBIJFMVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N2/c1-5-7-9-11-13-17(14-12-10-8-6-2)18-15-16-19(17,3)4/h18H,5-16H2,1-4H3/q+1.
What are the key properties of 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium?
2,2-dihexyl-1,1-dimethylimidazolidin-1-ium has a molecular weight of 269.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihexyl-1,1-dimethylimidazolidin-1-ium is sourced from PubChem (CID 67228955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).