butyl-hexyl-pentylazanium chloride

C15H34ClN — CID 139955344

IUPACbutyl-hexyl-pentylazanium chloride
SMILESCCCCCC[NH+](CCCC)CCCCC.[Cl-]
InChIInChI=1S/C15H33N.ClH/c1-4-7-10-12-15-16(13-9-6-3)14-11-8-5-2;/h4-15H2,1-3H3;1H
InChIKeyLAXNXAMTYNRPBG-UHFFFAOYSA-N
MW263.90 g/mol
LogP0.45
Rot. Bonds12

About butyl-hexyl-pentylazanium chloride

butyl-hexyl-pentylazanium chloride (PubChem CID 139955344) has the molecular formula C15H34ClN and a molecular weight of 263.90 g/mol. Its IUPAC name is butyl-hexyl-pentylazanium chloride.

Molecular Properties

Compound Namebutyl-hexyl-pentylazanium chloride
PubChem CID139955344
Molecular FormulaC15H34ClN
Molecular Weight263.90 g/mol
Exact Mass263.24
IUPAC Namebutyl-hexyl-pentylazanium chloride
SMILESCCCCCC[NH+](CCCC)CCCCC.[Cl-]
InChIInChI=1S/C15H33N.ClH/c1-4-7-10-12-15-16(13-9-6-3)14-11-8-5-2;/h4-15H2,1-3H3;1H
InChIKeyLAXNXAMTYNRPBG-UHFFFAOYSA-N
XLogP0.45
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.90
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl(octadecyl)azanium
CID 18405855
tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
trioctylazanium hydroxide
CID 22253318
tripentylazanium
CID 6993016
diethyl(tricosyl)azanium chloride
CID 141276977
dibutyl(2-hexoxyethyl)azanium chloride
CID 18529341
dibutyl(propyl)azanium;propane
CID 176561403
docosyl-methyl-tetradecylazanium chloride
CID 141288943
undecane chloride
CID 19736895
dibutyl(3-hydroxypropyl)azanium
CID 36690466
dibutyl(2-hydroxyethyl)azanium
CID 18920823

Frequently Asked Questions

What is the IUPAC name of butyl-hexyl-pentylazanium chloride?
The IUPAC name of butyl-hexyl-pentylazanium chloride (CID 139955344) is butyl-hexyl-pentylazanium chloride.
What is the SMILES notation for butyl-hexyl-pentylazanium chloride?
The canonical SMILES for butyl-hexyl-pentylazanium chloride is CCCCCC[NH+](CCCC)CCCCC.[Cl-].
What is the InChIKey of butyl-hexyl-pentylazanium chloride?
The InChIKey is LAXNXAMTYNRPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.ClH/c1-4-7-10-12-15-16(13-9-6-3)14-11-8-5-2;/h4-15H2,1-3H3;1H.
What are the key properties of butyl-hexyl-pentylazanium chloride?
butyl-hexyl-pentylazanium chloride has a molecular weight of 263.90 g/mol, XLogP of 0.45, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-hexyl-pentylazanium chloride is sourced from PubChem (CID 139955344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).