1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride

C13H27ClN2 — CID 67523359

IUPAC1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCCCCCCCCN1C=C[NH+](C)C1.[Cl-]
InChIInChI=1S/C13H26N2.ClH/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)13-15;/h11-12H,3-10,13H2,1-2H3;1H
InChIKeyWXMAZYJGLKBRGD-UHFFFAOYSA-N
MW246.83 g/mol
LogP-1.00
Rot. Bonds8

About 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride

1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride (PubChem CID 67523359) has the molecular formula C13H27ClN2 and a molecular weight of 246.83 g/mol. Its IUPAC name is 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride
PubChem CID67523359
Molecular FormulaC13H27ClN2
Molecular Weight246.83 g/mol
Exact Mass246.19
IUPAC Name1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCCCCCCCCN1C=C[NH+](C)C1.[Cl-]
InChIInChI=1S/C13H26N2.ClH/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)13-15;/h11-12H,3-10,13H2,1-2H3;1H
InChIKeyWXMAZYJGLKBRGD-UHFFFAOYSA-N
XLogP-1.00
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.83
LogP ≤ 5-1.00
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride (CID 67523359) is 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride is CCCCCCCCCN1C=C[NH+](C)C1.[Cl-].
What is the InChIKey of 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride?
The InChIKey is WXMAZYJGLKBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.ClH/c1-3-4-5-6-7-8-9-10-15-12-11-14(2)13-15;/h11-12H,3-10,13H2,1-2H3;1H.
What are the key properties of 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride?
1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride has a molecular weight of 246.83 g/mol, XLogP of -1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nonyl-1,2-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 67523359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).