azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide

C5H18Br2N4 — CID 175141392

IUPACazane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide
SMILESBr.C/N=C(\N)[N+](C)(C)C.N.[Br-]
InChIInChI=1S/C5H14N3.2BrH.H3N/c1-7-5(6)8(2,3)4;;;/h1-4H3,(H2,6,7);2*1H;1H3/q+1;;;/p-1
InChIKeyFEQCRGQWSROEQO-UHFFFAOYSA-M
MW294.04 g/mol
LogP-2.62
Rot. Bonds

About azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide

azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide (PubChem CID 175141392) has the molecular formula C5H18Br2N4 and a molecular weight of 294.04 g/mol. Its IUPAC name is azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide.

Molecular Properties

Compound Nameazane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide
PubChem CID175141392
Molecular FormulaC5H18Br2N4
Molecular Weight294.04 g/mol
Exact Mass291.99
IUPAC Nameazane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide
SMILESBr.C/N=C(\N)[N+](C)(C)C.N.[Br-]
InChIInChI=1S/C5H14N3.2BrH.H3N/c1-7-5(6)8(2,3)4;;;/h1-4H3,(H2,6,7);2*1H;1H3/q+1;;;/p-1
InChIKeyFEQCRGQWSROEQO-UHFFFAOYSA-M
XLogP-2.62
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 5-2.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide?
The IUPAC name of azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide (CID 175141392) is azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide.
What is the SMILES notation for azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide?
The canonical SMILES for azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide is Br.C/N=C(\N)[N+](C)(C)C.N.[Br-].
What is the InChIKey of azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide?
The InChIKey is FEQCRGQWSROEQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N3.2BrH.H3N/c1-7-5(6)8(2,3)4;;;/h1-4H3,(H2,6,7);2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide?
azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide has a molecular weight of 294.04 g/mol, XLogP of -2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl-(N'-methylcarbamimidoyl)azanium;bromide;hydrobromide is sourced from PubChem (CID 175141392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).