2-azaniumylethyl(ethyl)azanium dibromide

C4H14Br2N2 — CID 160800492

IUPAC2-azaniumylethyl(ethyl)azanium dibromide
SMILESCC[NH2+]CC[NH3+].[Br-].[Br-]
InChIInChI=1S/C4H12N2.2BrH/c1-2-6-4-3-5;;/h6H,2-5H2,1H3;2*1H
InChIKeyGOCBSOGGTAJPER-UHFFFAOYSA-N
MW249.98 g/mol
LogP-8.18
Rot. Bonds3

About 2-azaniumylethyl(ethyl)azanium dibromide

2-azaniumylethyl(ethyl)azanium dibromide (PubChem CID 160800492) has the molecular formula C4H14Br2N2 and a molecular weight of 249.98 g/mol. Its IUPAC name is 2-azaniumylethyl(ethyl)azanium dibromide.

Molecular Properties

Compound Name2-azaniumylethyl(ethyl)azanium dibromide
PubChem CID160800492
Molecular FormulaC4H14Br2N2
Molecular Weight249.98 g/mol
Exact Mass247.95
IUPAC Name2-azaniumylethyl(ethyl)azanium dibromide
SMILESCC[NH2+]CC[NH3+].[Br-].[Br-]
InChIInChI=1S/C4H12N2.2BrH/c1-2-6-4-3-5;;/h6H,2-5H2,1H3;2*1H
InChIKeyGOCBSOGGTAJPER-UHFFFAOYSA-N
XLogP-8.18
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.98
LogP ≤ 5-8.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethylazanium;propane
CID 22646025
2-azaniumylethyl(2-hydroxypropyl)azanium
CID 153316929
2-azaniumylethyl-[2-(2-azaniumylethylazaniumyl)ethyl]azanium;bis(butanedioate)
CID 139145505
ethyl-[(ethylazaniumyl)methyl]azanium
CID 140844105
ethyl(tridecyl)azanium iodide
CID 88651524
ethyl-[4-[4-[4-(ethylazaniumyl)butylazaniumyl]but-2-ynylazaniumyl]butyl]azanium tetrachloride
CID 10741171
ethyl-[4-[[(Z)-4-[4-(ethylazaniumyl)butylazaniumyl]but-2-enyl]azaniumyl]butyl]azanium tetrachloride
CID 10622520
triazanium;butylazanium;tetrabromide
CID 139693201
ethyl-[4-[[(1R,2R)-2-[[4-[[(1S,2S)-2-[[4-(ethylazaniumyl)butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butyl]azanium hexachloride
CID 10963442
ethyl-[4-[4-[[(Z)-4-[[(Z)-4-(ethylazaniumyl)but-2-enyl]azaniumyl]but-2-enyl]azaniumyl]butylazaniumyl]butyl]azanium pentachloride
CID 11800488
ethyl(propyl)azanium;methyl sulfate
CID 139650778
ethyl-[4-[[(1S,2S)-2-[[4-(ethylazaniumyl)butylazaniumyl]methyl]cyclopropyl]methylazaniumyl]butyl]azanium tetrachloride
CID 11797539

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl(ethyl)azanium dibromide?
The IUPAC name of 2-azaniumylethyl(ethyl)azanium dibromide (CID 160800492) is 2-azaniumylethyl(ethyl)azanium dibromide.
What is the SMILES notation for 2-azaniumylethyl(ethyl)azanium dibromide?
The canonical SMILES for 2-azaniumylethyl(ethyl)azanium dibromide is CC[NH2+]CC[NH3+].[Br-].[Br-].
What is the InChIKey of 2-azaniumylethyl(ethyl)azanium dibromide?
The InChIKey is GOCBSOGGTAJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.2BrH/c1-2-6-4-3-5;;/h6H,2-5H2,1H3;2*1H.
What are the key properties of 2-azaniumylethyl(ethyl)azanium dibromide?
2-azaniumylethyl(ethyl)azanium dibromide has a molecular weight of 249.98 g/mol, XLogP of -8.18, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(ethyl)azanium dibromide is sourced from PubChem (CID 160800492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).