trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide

C16H38Br2N2 — CID 10921

IUPACtrimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyHLXQFVXURMXRPU-UHFFFAOYSA-L
MW418.30 g/mol
LogP-2.47
Rot. Bonds11

About trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide

trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide (PubChem CID 10921) has the molecular formula C16H38Br2N2 and a molecular weight of 418.30 g/mol. Its IUPAC name is trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide.

Molecular Properties

Compound Nametrimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
PubChem CID10921
Molecular FormulaC16H38Br2N2
Molecular Weight418.30 g/mol
Exact Mass416.14
IUPAC Nametrimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyHLXQFVXURMXRPU-UHFFFAOYSA-L
XLogP-2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 5-2.47
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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Related Compounds

trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl(pentacontyl)azanium bromide
CID 118223247
16-hydroxyhexadecyl(trimethyl)azanium bromide
CID 10762327
azane;trimethyl(octyl)azanium;bromide
CID 175301747
5-bromopentyl(trimethyl)azanium bromide
CID 11098210
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439

Frequently Asked Questions

What is the IUPAC name of trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide?
The IUPAC name of trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide (CID 10921) is trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide.
What is the SMILES notation for trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide?
The canonical SMILES for trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide is C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide?
The InChIKey is HLXQFVXURMXRPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide?
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide has a molecular weight of 418.30 g/mol, XLogP of -2.47, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide is sourced from PubChem (CID 10921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).