butane;bis(4-methylmorpholin-4-ium);dibromide

C14H34Br2N2O2 — CID 159010393

IUPACbutane;bis(4-methylmorpholin-4-ium);dibromide
SMILESCCCC.C[NH+]1CCOCC1.C[NH+]1CCOCC1.[Br-].[Br-]
InChIInChI=1S/2C5H11NO.C4H10.2BrH/c2*1-6-2-4-7-5-3-6;1-3-4-2;;/h2*2-5H2,1H3;3-4H2,1-2H3;2*1H
InChIKeyPBIUJDLFLJVFGN-UHFFFAOYSA-N
MW422.25 g/mol
LogP-7.12
Rot. Bonds1

About butane;bis(4-methylmorpholin-4-ium);dibromide

butane;bis(4-methylmorpholin-4-ium);dibromide (PubChem CID 159010393) has the molecular formula C14H34Br2N2O2 and a molecular weight of 422.25 g/mol. Its IUPAC name is butane;bis(4-methylmorpholin-4-ium);dibromide.

Molecular Properties

Compound Namebutane;bis(4-methylmorpholin-4-ium);dibromide
PubChem CID159010393
Molecular FormulaC14H34Br2N2O2
Molecular Weight422.25 g/mol
Exact Mass420.10
IUPAC Namebutane;bis(4-methylmorpholin-4-ium);dibromide
SMILESCCCC.C[NH+]1CCOCC1.C[NH+]1CCOCC1.[Br-].[Br-]
InChIInChI=1S/2C5H11NO.C4H10.2BrH/c2*1-6-2-4-7-5-3-6;1-3-4-2;;/h2*2-5H2,1H3;3-4H2,1-2H3;2*1H
InChIKeyPBIUJDLFLJVFGN-UHFFFAOYSA-N
XLogP-7.12
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 5-7.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140769751
4-butylmorpholin-4-ium
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butane;pentahydrofluoride
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butane;bis(4-methylmorpholine)
CID 159010392
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4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
CID 19792725
acetonitrile;4-butylmorpholin-4-ium
CID 86752402
N,N-dibutylbutan-1-amine;1,4-dioxane
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CID 131730062

Frequently Asked Questions

What is the IUPAC name of butane;bis(4-methylmorpholin-4-ium);dibromide?
The IUPAC name of butane;bis(4-methylmorpholin-4-ium);dibromide (CID 159010393) is butane;bis(4-methylmorpholin-4-ium);dibromide.
What is the SMILES notation for butane;bis(4-methylmorpholin-4-ium);dibromide?
The canonical SMILES for butane;bis(4-methylmorpholin-4-ium);dibromide is CCCC.C[NH+]1CCOCC1.C[NH+]1CCOCC1.[Br-].[Br-].
What is the InChIKey of butane;bis(4-methylmorpholin-4-ium);dibromide?
The InChIKey is PBIUJDLFLJVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO.C4H10.2BrH/c2*1-6-2-4-7-5-3-6;1-3-4-2;;/h2*2-5H2,1H3;3-4H2,1-2H3;2*1H.
What are the key properties of butane;bis(4-methylmorpholin-4-ium);dibromide?
butane;bis(4-methylmorpholin-4-ium);dibromide has a molecular weight of 422.25 g/mol, XLogP of -7.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(4-methylmorpholin-4-ium);dibromide is sourced from PubChem (CID 159010393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).