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

C15H32BrN2+ — CID 156595016

IUPAC1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
SMILESC[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.[Br-]
InChIInChI=1S/C15H32N2.BrH/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;/h3-15H2,1-2H3;1H/q+2;/p-1
InChIKeyKRCPFJLLBWOLCT-UHFFFAOYSA-M
MW320.34 g/mol
LogP-0.36
Rot. Bonds6

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

1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide (PubChem CID 156595016) has the molecular formula C15H32BrN2+ and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide.

Molecular Properties

Compound Name1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
PubChem CID156595016
Molecular FormulaC15H32BrN2+
Molecular Weight320.34 g/mol
Exact Mass319.17
IUPAC Name1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
SMILESC[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.[Br-]
InChIInChI=1S/C15H32N2.BrH/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;/h3-15H2,1-2H3;1H/q+2;/p-1
InChIKeyKRCPFJLLBWOLCT-UHFFFAOYSA-M
XLogP-0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.36
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-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide?
The IUPAC name of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide (CID 156595016) is 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide.
What is the SMILES notation for 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide?
The canonical SMILES for 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide is C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.[Br-].
What is the InChIKey of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide?
The InChIKey is KRCPFJLLBWOLCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32N2.BrH/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;/h3-15H2,1-2H3;1H/q+2;/p-1.
What are the key properties of 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide?
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide has a molecular weight of 320.34 g/mol, XLogP of -0.36, 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 bromide is sourced from PubChem (CID 156595016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).