1-hexyl-1-methylpyrrolidin-1-ium

C11H24N+ — CID 10490879

IUPAC1-hexyl-1-methylpyrrolidin-1-ium
SMILESCCCCCC[N+]1(C)CCCC1
InChIInChI=1S/C11H24N/c1-3-4-5-6-9-12(2)10-7-8-11-12/h3-11H2,1-2H3/q+1
InChIKeySVONMDAUOJGXHL-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.81
Rot. Bonds5

About 1-hexyl-1-methylpyrrolidin-1-ium

1-hexyl-1-methylpyrrolidin-1-ium (PubChem CID 10490879) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-hexyl-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-hexyl-1-methylpyrrolidin-1-ium
PubChem CID10490879
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name1-hexyl-1-methylpyrrolidin-1-ium
SMILESCCCCCC[N+]1(C)CCCC1
InChIInChI=1S/C11H24N/c1-3-4-5-6-9-12(2)10-7-8-11-12/h3-11H2,1-2H3/q+1
InChIKeySVONMDAUOJGXHL-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1-methylpyrrolidin-1-ium?
The IUPAC name of 1-hexyl-1-methylpyrrolidin-1-ium (CID 10490879) is 1-hexyl-1-methylpyrrolidin-1-ium.
What is the SMILES notation for 1-hexyl-1-methylpyrrolidin-1-ium?
The canonical SMILES for 1-hexyl-1-methylpyrrolidin-1-ium is CCCCCC[N+]1(C)CCCC1.
What is the InChIKey of 1-hexyl-1-methylpyrrolidin-1-ium?
The InChIKey is SVONMDAUOJGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-3-4-5-6-9-12(2)10-7-8-11-12/h3-11H2,1-2H3/q+1.
What are the key properties of 1-hexyl-1-methylpyrrolidin-1-ium?
1-hexyl-1-methylpyrrolidin-1-ium has a molecular weight of 170.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 10490879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).