1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium

C15H32N2+2 — CID 5850

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IUPAC1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
SMILESC[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
InChIInChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
InChIKeyXSBSKEQEUFOSDD-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.64
Rot. Bonds6

About 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium

1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium (PubChem CID 5850) has the molecular formula C15H32N2+2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
PubChem CID5850
Molecular FormulaC15H32N2+2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
SMILESC[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
InChIInChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
InChIKeyXSBSKEQEUFOSDD-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.64
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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Related Compounds

1,1'-(Hexane-1,6-diyl)bis(1-methylpyrrolidin-1-ium) dibromide
CID 83157
Pyrrolidine, 1,1'-hexamethylenedi-
CID 210237
1-Methyl-1-[12-(1-methylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium
CID 3048261
1-Butyl-1-[12-(1-butylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium
CID 11373583
Pyrrolidinium, 1,1'-pentamethylenebis(1-methyl-, diiodide
CID 102187
Pyrrolidinium, 1,1'-hexamethylenebis(1-methyl-, diiodide
CID 202703
1,1'-(Hexane-1,6-diyl)bis(1-ethylpyrrolidin-1-ium) dibromide
CID 3048206
1,1'-(Butane-1,4-diyl)bis(1-methylpyrrolidin-1-ium) diiodide
CID 3048216
1,1'-(Butane-1,4-diyl)bis(1-methylpyrrolidin-1-ium) dibromide
CID 17885849
1-Methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 338315
(S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
1,1'-(Butane-1,4-diyl)dipyrrolidine
CID 12650899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium?
The IUPAC name of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium (CID 5850) is 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium.
What is the SMILES notation for 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium?
The canonical SMILES for 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium is C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.
What is the InChIKey of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium?
The InChIKey is XSBSKEQEUFOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2.
What are the key properties of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium?
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium has a molecular weight of 240.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium is sourced from PubChem (CID 5850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).