bromomethyl-hexyl-methyl-octylazanium chloride

C16H35BrClN — CID 139955958

IUPACbromomethyl-hexyl-methyl-octylazanium chloride
SMILESCCCCCCCC[N+](C)(CBr)CCCCCC.[Cl-]
InChIInChI=1S/C16H35BrN.ClH/c1-4-6-8-10-11-13-15-18(3,16-17)14-12-9-7-5-2;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyUFIZHRQHYXDCJN-UHFFFAOYSA-M
MW356.82 g/mol
LogP2.73
Rot. Bonds13

About bromomethyl-hexyl-methyl-octylazanium chloride

bromomethyl-hexyl-methyl-octylazanium chloride (PubChem CID 139955958) has the molecular formula C16H35BrClN and a molecular weight of 356.82 g/mol. Its IUPAC name is bromomethyl-hexyl-methyl-octylazanium chloride.

Molecular Properties

Compound Namebromomethyl-hexyl-methyl-octylazanium chloride
PubChem CID139955958
Molecular FormulaC16H35BrClN
Molecular Weight356.82 g/mol
Exact Mass355.16
IUPAC Namebromomethyl-hexyl-methyl-octylazanium chloride
SMILESCCCCCCCC[N+](C)(CBr)CCCCCC.[Cl-]
InChIInChI=1S/C16H35BrN.ClH/c1-4-6-8-10-11-13-15-18(3,16-17)14-12-9-7-5-2;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyUFIZHRQHYXDCJN-UHFFFAOYSA-M
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bromomethyl-methyl-octyl-pentylazanium
CID 139954157
bromomethyl-hexyl-methyl-octylazanium iodide
CID 139954341
bromomethyl-methyl-octyl-pentylazanium bromide
CID 139954156
bromomethyl-methyl-dipentylazanium
CID 139954318
4-bromobutyl-diheptyl-methylazanium chloride
CID 139954298
3-bromopropyl-hexyl-methyl-pentylazanium chloride
CID 139954068
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491
heptadecyl-dihexadecyl-methylazanium
CID 174998798
decyl-heptyl-hexyl-methylazanium
CID 87904248
dihexyl-methyl-pentylazanium
CID 23534989
2-bromoethyl-methyl-di(nonyl)azanium
CID 139956263
2-bromoethyl-methyl-di(tetradecyl)azanium
CID 19839235

Frequently Asked Questions

What is the IUPAC name of bromomethyl-hexyl-methyl-octylazanium chloride?
The IUPAC name of bromomethyl-hexyl-methyl-octylazanium chloride (CID 139955958) is bromomethyl-hexyl-methyl-octylazanium chloride.
What is the SMILES notation for bromomethyl-hexyl-methyl-octylazanium chloride?
The canonical SMILES for bromomethyl-hexyl-methyl-octylazanium chloride is CCCCCCCC[N+](C)(CBr)CCCCCC.[Cl-].
What is the InChIKey of bromomethyl-hexyl-methyl-octylazanium chloride?
The InChIKey is UFIZHRQHYXDCJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35BrN.ClH/c1-4-6-8-10-11-13-15-18(3,16-17)14-12-9-7-5-2;/h4-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of bromomethyl-hexyl-methyl-octylazanium chloride?
bromomethyl-hexyl-methyl-octylazanium chloride has a molecular weight of 356.82 g/mol, XLogP of 2.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-hexyl-methyl-octylazanium chloride is sourced from PubChem (CID 139955958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).