1-propyl-3-undecylimidazol-1-ium

C17H33N2+ — CID 87807956

IUPAC1-propyl-3-undecylimidazol-1-ium
SMILESCCCCCCCCCCCn1cc[n+](CCC)c1
InChIInChI=1S/C17H33N2/c1-3-5-6-7-8-9-10-11-12-14-19-16-15-18(17-19)13-4-2/h15-17H,3-14H2,1-2H3/q+1
InChIKeyMVOGFUZJNNSCBS-UHFFFAOYSA-N
MW265.46 g/mol
LogP4.72
Rot. Bonds12

About 1-propyl-3-undecylimidazol-1-ium

1-propyl-3-undecylimidazol-1-ium (PubChem CID 87807956) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 1-propyl-3-undecylimidazol-1-ium.

Molecular Properties

Compound Name1-propyl-3-undecylimidazol-1-ium
PubChem CID87807956
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name1-propyl-3-undecylimidazol-1-ium
SMILESCCCCCCCCCCCn1cc[n+](CCC)c1
InChIInChI=1S/C17H33N2/c1-3-5-6-7-8-9-10-11-12-14-19-16-15-18(17-19)13-4-2/h15-17H,3-14H2,1-2H3/q+1
InChIKeyMVOGFUZJNNSCBS-UHFFFAOYSA-N
XLogP4.72
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-propyl-3-[4-(3-propylimidazol-3-ium-1-yl)butyl]imidazol-1-ium
CID 118040993
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154
1,3-dioctylimidazol-1-ium fluoride
CID 141499000
1-hexadecyl-3-tetradecylimidazol-1-ium bromide
CID 166517209
1,3-dioctylimidazol-1-ium bromide
CID 141246153
1,3-di(icosyl)imidazol-1-ium bromide
CID 162511816

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-undecylimidazol-1-ium?
The IUPAC name of 1-propyl-3-undecylimidazol-1-ium (CID 87807956) is 1-propyl-3-undecylimidazol-1-ium.
What is the SMILES notation for 1-propyl-3-undecylimidazol-1-ium?
The canonical SMILES for 1-propyl-3-undecylimidazol-1-ium is CCCCCCCCCCCn1cc[n+](CCC)c1.
What is the InChIKey of 1-propyl-3-undecylimidazol-1-ium?
The InChIKey is MVOGFUZJNNSCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-3-5-6-7-8-9-10-11-12-14-19-16-15-18(17-19)13-4-2/h15-17H,3-14H2,1-2H3/q+1.
What are the key properties of 1-propyl-3-undecylimidazol-1-ium?
1-propyl-3-undecylimidazol-1-ium has a molecular weight of 265.46 g/mol, XLogP of 4.72, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-undecylimidazol-1-ium is sourced from PubChem (CID 87807956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).