triethyl(methyl)azanium bromide

C7H18BrN — CID 3083778

IUPACtriethyl(methyl)azanium bromide
SMILESCC[N+](C)(CC)CC.[Br-]
InChIInChI=1S/C7H18N.BrH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyGRVPDGGTLNKOBZ-UHFFFAOYSA-M
MW196.13 g/mol
LogP-1.50
Rot. Bonds3

About triethyl(methyl)azanium bromide

triethyl(methyl)azanium bromide (PubChem CID 3083778) has the molecular formula C7H18BrN and a molecular weight of 196.13 g/mol. Its IUPAC name is triethyl(methyl)azanium bromide.

Molecular Properties

Compound Nametriethyl(methyl)azanium bromide
PubChem CID3083778
Molecular FormulaC7H18BrN
Molecular Weight196.13 g/mol
Exact Mass195.06
IUPAC Nametriethyl(methyl)azanium bromide
SMILESCC[N+](C)(CC)CC.[Br-]
InChIInChI=1S/C7H18N.BrH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyGRVPDGGTLNKOBZ-UHFFFAOYSA-M
XLogP-1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(methyl)azanium bromide?
The IUPAC name of triethyl(methyl)azanium bromide (CID 3083778) is triethyl(methyl)azanium bromide.
What is the SMILES notation for triethyl(methyl)azanium bromide?
The canonical SMILES for triethyl(methyl)azanium bromide is CC[N+](C)(CC)CC.[Br-].
What is the InChIKey of triethyl(methyl)azanium bromide?
The InChIKey is GRVPDGGTLNKOBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.BrH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl(methyl)azanium bromide?
triethyl(methyl)azanium bromide has a molecular weight of 196.13 g/mol, XLogP of -1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methyl)azanium bromide is sourced from PubChem (CID 3083778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).