1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride

C8H15ClN2O — CID 87942526

IUPAC1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride
SMILESCOCCCn1cc[n+](C)c1.[Cl-]
InChIInChI=1S/C8H15N2O.ClH/c1-9-5-6-10(8-9)4-3-7-11-2;/h5-6,8H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChIKeyBPNGHIANBFDWLC-UHFFFAOYSA-M
MW190.67 g/mol
LogP-2.65
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride

1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride (PubChem CID 87942526) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride
PubChem CID87942526
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride
SMILESCOCCCn1cc[n+](C)c1.[Cl-]
InChIInChI=1S/C8H15N2O.ClH/c1-9-5-6-10(8-9)4-3-7-11-2;/h5-6,8H,3-4,7H2,1-2H3;1H/q+1;/p-1
InChIKeyBPNGHIANBFDWLC-UHFFFAOYSA-M
XLogP-2.65
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 5-2.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Butylimidazole
CID 61347
1-Ethyl-3-methylimidazolium ethylsulfate
CID 12095229
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
n-Propylimidazole
CID 118785
1-Hexyl-3-methylimidazolium chloride
CID 2734163
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Ethyl-3-methylimidazolium iodide
CID 11075478
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1-Ethyl-3-methylimidazolium acetate
CID 11658353

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride?
The IUPAC name of 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride (CID 87942526) is 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride is COCCCn1cc[n+](C)c1.[Cl-].
What is the InChIKey of 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride?
The InChIKey is BPNGHIANBFDWLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2O.ClH/c1-9-5-6-10(8-9)4-3-7-11-2;/h5-6,8H,3-4,7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride?
1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride has a molecular weight of 190.67 g/mol, XLogP of -2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methylimidazol-3-ium chloride is sourced from PubChem (CID 87942526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).