3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide

C23H61Br6N3 — CID 173485951

IUPAC3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide
SMILESBr.Br.Br.Br.CCC(N)(CC)CC.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[Br-].[Br-]
InChIInChI=1S/2C8H20N.C7H17N.6BrH/c2*1-5-9(6-2,7-3)8-4;1-4-7(8,5-2)6-3;;;;;;/h2*5-8H2,1-4H3;4-6,8H2,1-3H3;6*1H/q2*+1;;;;;;;/p-2
InChIKeyJPUYOXGNDSIAKE-UHFFFAOYSA-L
MW859.19 g/mol
LogP2.00
Rot. Bonds11

About 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide

3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide (PubChem CID 173485951) has the molecular formula C23H61Br6N3 and a molecular weight of 859.19 g/mol. Its IUPAC name is 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide.

Molecular Properties

Compound Name3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide
PubChem CID173485951
Molecular FormulaC23H61Br6N3
Molecular Weight859.19 g/mol
Exact Mass853.00
IUPAC Name3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide
SMILESBr.Br.Br.Br.CCC(N)(CC)CC.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[Br-].[Br-]
InChIInChI=1S/2C8H20N.C7H17N.6BrH/c2*1-5-9(6-2,7-3)8-4;1-4-7(8,5-2)6-3;;;;;;/h2*5-8H2,1-4H3;4-6,8H2,1-3H3;6*1H/q2*+1;;;;;;;/p-2
InChIKeyJPUYOXGNDSIAKE-UHFFFAOYSA-L
XLogP2.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500859.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-ethylpentan-3-amine;sulfane;tungsten
CID 11450352
3-ethylpentan-3-amine;phosphane;hexahydrofluoride
CID 173156412
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
tetraethylazanium;fluoride;dihydrate
CID 2776564
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490
methanol;tetraethylazanium;hydroxide
CID 159654840
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050
3-ethylpentane-1,3-diamine
CID 22019015
sodium;tetraethylazanium;sulfate
CID 139985326

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide?
The IUPAC name of 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide (CID 173485951) is 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide.
What is the SMILES notation for 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide?
The canonical SMILES for 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide is Br.Br.Br.Br.CCC(N)(CC)CC.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[Br-].[Br-].
What is the InChIKey of 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide?
The InChIKey is JPUYOXGNDSIAKE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H20N.C7H17N.6BrH/c2*1-5-9(6-2,7-3)8-4;1-4-7(8,5-2)6-3;;;;;;/h2*5-8H2,1-4H3;4-6,8H2,1-3H3;6*1H/q2*+1;;;;;;;/p-2.
What are the key properties of 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide?
3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide has a molecular weight of 859.19 g/mol, XLogP of 2.00, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-amine;bis(tetraethylazanium);dibromide;tetrahydrobromide is sourced from PubChem (CID 173485951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).