1-ethyl-1-propylimidazol-1-ium bromide

C8H15BrN2 — CID 18377227

IUPAC1-ethyl-1-propylimidazol-1-ium bromide
SMILESCCC[N+]1(CC)C=CN=C1.[Br-]
InChIInChI=1S/C8H15N2.BrH/c1-3-6-10(4-2)7-5-9-8-10;/h5,7-8H,3-4,6H2,1-2H3;1H/q+1;/p-1
InChIKeyIUHHROKDJLAEPP-UHFFFAOYSA-M
MW219.13 g/mol
LogP-1.25
Rot. Bonds3

About 1-ethyl-1-propylimidazol-1-ium bromide

1-ethyl-1-propylimidazol-1-ium bromide (PubChem CID 18377227) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 1-ethyl-1-propylimidazol-1-ium bromide.

Molecular Properties

Compound Name1-ethyl-1-propylimidazol-1-ium bromide
PubChem CID18377227
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name1-ethyl-1-propylimidazol-1-ium bromide
SMILESCCC[N+]1(CC)C=CN=C1.[Br-]
InChIInChI=1S/C8H15N2.BrH/c1-3-6-10(4-2)7-5-9-8-10;/h5,7-8H,3-4,6H2,1-2H3;1H/q+1;/p-1
InChIKeyIUHHROKDJLAEPP-UHFFFAOYSA-M
XLogP-1.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-butyl imidazolium iodide
CID 21977609
1-Hexyl-1-methyl-1h-imidazol-1-ium bromide
CID 67392062
N,N-bis[(2s)-2-methylbutyl]imidazolium bromide
CID 129827123
1-Butyl-1-methylimidazol-1-ium bromide
CID 9855928
1-Butyl-1-methylimidazol-1-ium
CID 9855929
1-Butyl-1-methylimidazolium chloride
CID 11019372
1-Ethyl-1-methylimidazol-1-ium
CID 14324719
1-Ethenyl-1-ethylimidazol-1-ium
CID 17778815
1,1-Dipropylimidazol-1-ium bromide
CID 17814185
1,1-Dipropylimidazol-1-ium
CID 17814186
1,1-Dibutylimidazol-1-ium
CID 17814187
1-Ethyl-1-propylimidazol-1-ium
CID 18377226

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-propylimidazol-1-ium bromide?
The IUPAC name of 1-ethyl-1-propylimidazol-1-ium bromide (CID 18377227) is 1-ethyl-1-propylimidazol-1-ium bromide.
What is the SMILES notation for 1-ethyl-1-propylimidazol-1-ium bromide?
The canonical SMILES for 1-ethyl-1-propylimidazol-1-ium bromide is CCC[N+]1(CC)C=CN=C1.[Br-].
What is the InChIKey of 1-ethyl-1-propylimidazol-1-ium bromide?
The InChIKey is IUHHROKDJLAEPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.BrH/c1-3-6-10(4-2)7-5-9-8-10;/h5,7-8H,3-4,6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-1-propylimidazol-1-ium bromide?
1-ethyl-1-propylimidazol-1-ium bromide has a molecular weight of 219.13 g/mol, XLogP of -1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-propylimidazol-1-ium bromide is sourced from PubChem (CID 18377227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).