1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium

C18H40N2+2 — CID 161031580

IUPAC1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCCC[N+]1(C)CCCC1C.CCC[N+]1(C)CCCC1
InChIInChI=1S/C10H22N.C8H18N/c1-4-5-8-11(3)9-6-7-10(11)2;1-3-6-9(2)7-4-5-8-9/h10H,4-9H2,1-3H3;3-8H2,1-2H3/q2*+1
InChIKeyTZROXPJKRWVHCQ-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.05
Rot. Bonds5

About 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium

1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium (PubChem CID 161031580) has the molecular formula C18H40N2+2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
PubChem CID161031580
Molecular FormulaC18H40N2+2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCCC[N+]1(C)CCCC1C.CCC[N+]1(C)CCCC1
InChIInChI=1S/C10H22N.C8H18N/c1-4-5-8-11(3)9-6-7-10(11)2;1-3-6-9(2)7-4-5-8-9/h10H,4-9H2,1-3H3;3-8H2,1-2H3/q2*+1
InChIKeyTZROXPJKRWVHCQ-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-1,2-dimethylpiperidin-1-ium
CID 148751446
1-hexyl-1,2-dimethylpiperidin-1-ium
CID 160754103
1,2-dimethyl-1-propylpiperidin-1-ium bromide
CID 66624879
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 160666992
1-butyl-1,2-dimethylaziridin-1-ium
CID 123689120
1-butyl-1,3-dimethylpiperidin-1-ium iodide
CID 66620336
1,3-dimethyl-1-propylpiperidin-1-ium;methane
CID 159441399
1-butyl-2-methyl-1-oxidopyrrolidin-1-ium
CID 166732413
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1,2-dimethyl-1-propylpyrrolidin-1-ium;1,3-dimethyl-1-propylpyrrolidin-1-ium;1-ethyl-1,3-dimethylpyrrolidin-1-ium;1-ethyl-3-methylimidazol-3-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 159452188
2-butyl-1-methyl-1-propylpyrrolidin-1-ium
CID 178182566

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
The IUPAC name of 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium (CID 161031580) is 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium.
What is the SMILES notation for 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
The canonical SMILES for 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium is CCCC[N+]1(C)CCCC1C.CCC[N+]1(C)CCCC1.
What is the InChIKey of 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
The InChIKey is TZROXPJKRWVHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.C8H18N/c1-4-5-8-11(3)9-6-7-10(11)2;1-3-6-9(2)7-4-5-8-9/h10H,4-9H2,1-3H3;3-8H2,1-2H3/q2*+1.
What are the key properties of 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium?
1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium has a molecular weight of 284.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,2-dimethylpyrrolidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 161031580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).