butane;tetramethylazanium;bromide

C8H22BrN — CID 23496254

IUPACbutane;tetramethylazanium;bromide
SMILESCCCC.C[N+](C)(C)C.[Br-]
InChIInChI=1S/C4H12N.C4H10.BrH/c1-5(2,3)4;1-3-4-2;/h1-4H3;3-4H2,1-2H3;1H/q+1;;/p-1
InChIKeyUZTWEVMNSSRLPX-UHFFFAOYSA-M
MW212.17 g/mol
LogP-0.87
Rot. Bonds1

About butane;tetramethylazanium;bromide

butane;tetramethylazanium;bromide (PubChem CID 23496254) has the molecular formula C8H22BrN and a molecular weight of 212.17 g/mol. Its IUPAC name is butane;tetramethylazanium;bromide.

Molecular Properties

Compound Namebutane;tetramethylazanium;bromide
PubChem CID23496254
Molecular FormulaC8H22BrN
Molecular Weight212.17 g/mol
Exact Mass211.09
IUPAC Namebutane;tetramethylazanium;bromide
SMILESCCCC.C[N+](C)(C)C.[Br-]
InChIInChI=1S/C4H12N.C4H10.BrH/c1-5(2,3)4;1-3-4-2;/h1-4H3;3-4H2,1-2H3;1H/q+1;;/p-1
InChIKeyUZTWEVMNSSRLPX-UHFFFAOYSA-M
XLogP-0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.87
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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Related Compounds

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CID 18518846

Frequently Asked Questions

What is the IUPAC name of butane;tetramethylazanium;bromide?
The IUPAC name of butane;tetramethylazanium;bromide (CID 23496254) is butane;tetramethylazanium;bromide.
What is the SMILES notation for butane;tetramethylazanium;bromide?
The canonical SMILES for butane;tetramethylazanium;bromide is CCCC.C[N+](C)(C)C.[Br-].
What is the InChIKey of butane;tetramethylazanium;bromide?
The InChIKey is UZTWEVMNSSRLPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.C4H10.BrH/c1-5(2,3)4;1-3-4-2;/h1-4H3;3-4H2,1-2H3;1H/q+1;;/p-1.
What are the key properties of butane;tetramethylazanium;bromide?
butane;tetramethylazanium;bromide has a molecular weight of 212.17 g/mol, XLogP of -0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tetramethylazanium;bromide is sourced from PubChem (CID 23496254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).