trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide

C12H30Br2N2 — CID 5938

IUPACtrimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide
SMILESC[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyFAPSXSAPXXJTOU-UHFFFAOYSA-L
MW362.19 g/mol
LogP-4.03
Rot. Bonds7

About trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide

trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide (PubChem CID 5938) has the molecular formula C12H30Br2N2 and a molecular weight of 362.19 g/mol. Its IUPAC name is trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide.

Molecular Properties

Compound Nametrimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide
PubChem CID5938
Molecular FormulaC12H30Br2N2
Molecular Weight362.19 g/mol
Exact Mass360.08
IUPAC Nametrimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide
SMILESC[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyFAPSXSAPXXJTOU-UHFFFAOYSA-L
XLogP-4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 5-4.03
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-[6-(trimethylazaniumyl)hexyl]azanium dibromide?
The IUPAC name of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide (CID 5938) is trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide.
What is the SMILES notation for trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide?
The canonical SMILES for trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide is C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide?
The InChIKey is FAPSXSAPXXJTOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide?
trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide has a molecular weight of 362.19 g/mol, XLogP of -4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide is sourced from PubChem (CID 5938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).