trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide

C11H28Br2N2 — CID 10919

IUPACtrimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide
SMILESC[N+](C)(C)CCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyGJVFBWCTGUSGDD-UHFFFAOYSA-L
MW348.17 g/mol
LogP-4.42
Rot. Bonds6

About trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide

trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide (PubChem CID 10919) has the molecular formula C11H28Br2N2 and a molecular weight of 348.17 g/mol. Its IUPAC name is trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide.

Molecular Properties

Compound Nametrimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide
PubChem CID10919
Molecular FormulaC11H28Br2N2
Molecular Weight348.17 g/mol
Exact Mass346.06
IUPAC Nametrimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide
SMILESC[N+](C)(C)CCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyGJVFBWCTGUSGDD-UHFFFAOYSA-L
XLogP-4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 5-4.42
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 trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide?
The IUPAC name of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide (CID 10919) is trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide.
What is the SMILES notation for trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide?
The canonical SMILES for trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide is C[N+](C)(C)CCCCC[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide?
The InChIKey is GJVFBWCTGUSGDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide?
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide has a molecular weight of 348.17 g/mol, XLogP of -4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide is sourced from PubChem (CID 10919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).