bromomethyl(tripentyl)azanium chloride

C16H35BrClN — CID 139955651

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

About bromomethyl(tripentyl)azanium chloride

bromomethyl(tripentyl)azanium chloride (PubChem CID 139955651) has the molecular formula C16H35BrClN and a molecular weight of 356.82 g/mol. Its IUPAC name is bromomethyl(tripentyl)azanium chloride.

Molecular Properties

Compound Namebromomethyl(tripentyl)azanium chloride
PubChem CID139955651
Molecular FormulaC16H35BrClN
Molecular Weight356.82 g/mol
Exact Mass355.16
IUPAC Namebromomethyl(tripentyl)azanium chloride
SMILESCCCCC[N+](CBr)(CCCCC)CCCCC.[Cl-]
InChIInChI=1S/C16H35BrN.ClH/c1-4-7-10-13-18(16-17,14-11-8-5-2)15-12-9-6-3;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyVBNLZVUXQIILBN-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-dibutyl-pentylazanium bromide
CID 139955693
bromomethyl-butyl-hexyl-pentylazanium
CID 139954516
bromomethyl-dibutyl-hexylazanium iodide
CID 139955138
diheptyl(dioctyl)azanium chloride
CID 87777237
tetradodecylazanium chloride
CID 14029864
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium dichloride
CID 11505983
tetra(undecyl)azanium chloride
CID 86229497
bis(tetrahexylazanium);chloride;hydroxide
CID 177250603
silicon(4+);tetrahexadecylazanium;tetrachloride
CID 21141680
dibutyl(dihexadecyl)azanium chloride
CID 87778770
pentyl-tri(tridecyl)azanium
CID 87897500
trihexyl(nonyl)azanium
CID 87777679

Frequently Asked Questions

What is the IUPAC name of bromomethyl(tripentyl)azanium chloride?
The IUPAC name of bromomethyl(tripentyl)azanium chloride (CID 139955651) is bromomethyl(tripentyl)azanium chloride.
What is the SMILES notation for bromomethyl(tripentyl)azanium chloride?
The canonical SMILES for bromomethyl(tripentyl)azanium chloride is CCCCC[N+](CBr)(CCCCC)CCCCC.[Cl-].
What is the InChIKey of bromomethyl(tripentyl)azanium chloride?
The InChIKey is VBNLZVUXQIILBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35BrN.ClH/c1-4-7-10-13-18(16-17,14-11-8-5-2)15-12-9-6-3;/h4-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of bromomethyl(tripentyl)azanium chloride?
bromomethyl(tripentyl)azanium 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(tripentyl)azanium chloride is sourced from PubChem (CID 139955651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).