bis(1-methylpyrrolidin-1-ium);pentane;dibromide

C15H36Br2N2 — CID 68574045

IUPACbis(1-methylpyrrolidin-1-ium);pentane;dibromide
SMILESCCCCC.C[NH+]1CCCC1.C[NH+]1CCCC1.[Br-].[Br-]
InChIInChI=1S/2C5H11N.C5H12.2BrH/c2*1-6-4-2-3-5-6;1-3-5-4-2;;/h2*2-5H2,1H3;3-5H2,1-2H3;2*1H
InChIKeyCGLPXEWPIXXFDX-UHFFFAOYSA-N
MW404.28 g/mol
LogP-5.21
Rot. Bonds2

About bis(1-methylpyrrolidin-1-ium);pentane;dibromide

bis(1-methylpyrrolidin-1-ium);pentane;dibromide (PubChem CID 68574045) has the molecular formula C15H36Br2N2 and a molecular weight of 404.28 g/mol. Its IUPAC name is bis(1-methylpyrrolidin-1-ium);pentane;dibromide.

Molecular Properties

Compound Namebis(1-methylpyrrolidin-1-ium);pentane;dibromide
PubChem CID68574045
Molecular FormulaC15H36Br2N2
Molecular Weight404.28 g/mol
Exact Mass402.12
IUPAC Namebis(1-methylpyrrolidin-1-ium);pentane;dibromide
SMILESCCCCC.C[NH+]1CCCC1.C[NH+]1CCCC1.[Br-].[Br-]
InChIInChI=1S/2C5H11N.C5H12.2BrH/c2*1-6-4-2-3-5-6;1-3-5-4-2;;/h2*2-5H2,1H3;3-5H2,1-2H3;2*1H
InChIKeyCGLPXEWPIXXFDX-UHFFFAOYSA-N
XLogP-5.21
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 5-5.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze bis(1-methylpyrrolidin-1-ium);pentane;dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylpyrrolidin-1-ium;bromide;chloride
CID 158151207
butane;bis(4-methylmorpholin-4-ium);dibromide
CID 159010393
cobalt;cyclooctane;pentane
CID 57373062
cyclopentane;ethane;pentane
CID 143543629
but-1-ene;1-methylpyrrolidin-1-ium
CID 143096837
1-heptyl-4-methylpiperazine-1,4-diium
CID 101132983
butanoate;1-methylpiperidin-1-ium
CID 67303574
hexadecakis(pentane);dihydrate
CID 173099119
alumane;pentane
CID 173125985
pentane;propane
CID 91422342
zinc pentane
CID 19065630
CID 159411255
CID 159411255

Frequently Asked Questions

What is the IUPAC name of bis(1-methylpyrrolidin-1-ium);pentane;dibromide?
The IUPAC name of bis(1-methylpyrrolidin-1-ium);pentane;dibromide (CID 68574045) is bis(1-methylpyrrolidin-1-ium);pentane;dibromide.
What is the SMILES notation for bis(1-methylpyrrolidin-1-ium);pentane;dibromide?
The canonical SMILES for bis(1-methylpyrrolidin-1-ium);pentane;dibromide is CCCCC.C[NH+]1CCCC1.C[NH+]1CCCC1.[Br-].[Br-].
What is the InChIKey of bis(1-methylpyrrolidin-1-ium);pentane;dibromide?
The InChIKey is CGLPXEWPIXXFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.C5H12.2BrH/c2*1-6-4-2-3-5-6;1-3-5-4-2;;/h2*2-5H2,1H3;3-5H2,1-2H3;2*1H.
What are the key properties of bis(1-methylpyrrolidin-1-ium);pentane;dibromide?
bis(1-methylpyrrolidin-1-ium);pentane;dibromide has a molecular weight of 404.28 g/mol, XLogP of -5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpyrrolidin-1-ium);pentane;dibromide is sourced from PubChem (CID 68574045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).