butyl-heptyl-hexyl-pentylazanium iodide

C22H48IN — CID 71382087

IUPACbutyl-heptyl-hexyl-pentylazanium iodide
SMILESCCCCCCC[N+](CCCC)(CCCCC)CCCCCC.[I-]
InChIInChI=1S/C22H48N.HI/c1-5-9-13-15-18-22-23(19-12-8-4,20-16-11-7-3)21-17-14-10-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyFOQLBUMBHWTVIS-UHFFFAOYSA-M
MW453.54 g/mol
LogP4.35
Rot. Bonds18

About butyl-heptyl-hexyl-pentylazanium iodide

butyl-heptyl-hexyl-pentylazanium iodide (PubChem CID 71382087) has the molecular formula C22H48IN and a molecular weight of 453.54 g/mol. Its IUPAC name is butyl-heptyl-hexyl-pentylazanium iodide.

Molecular Properties

Compound Namebutyl-heptyl-hexyl-pentylazanium iodide
PubChem CID71382087
Molecular FormulaC22H48IN
Molecular Weight453.54 g/mol
Exact Mass453.28
IUPAC Namebutyl-heptyl-hexyl-pentylazanium iodide
SMILESCCCCCCC[N+](CCCC)(CCCCC)CCCCCC.[I-]
InChIInChI=1S/C22H48N.HI/c1-5-9-13-15-18-22-23(19-12-8-4,20-16-11-7-3)21-17-14-10-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKeyFOQLBUMBHWTVIS-UHFFFAOYSA-M
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
trioctyl(tetradecyl)azanium iodide
CID 87778484
tributyl(heptyl)azanium
CID 5003685
triheptyl(nonyl)azanium iodide
CID 87778959
di(nonyl)-dipentylazanium iodide
CID 87777668
diheptyl-di(tetradecyl)azanium iodide
CID 87778887
tributyl(triacontyl)azanium
CID 153322884
dibutyl(dihexadecyl)azanium bromide
CID 87776722
tributyl(dodecyl)azanium bromide
CID 19858509
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
dibutyl(dihexadecyl)azanium chloride
CID 87778770

Frequently Asked Questions

What is the IUPAC name of butyl-heptyl-hexyl-pentylazanium iodide?
The IUPAC name of butyl-heptyl-hexyl-pentylazanium iodide (CID 71382087) is butyl-heptyl-hexyl-pentylazanium iodide.
What is the SMILES notation for butyl-heptyl-hexyl-pentylazanium iodide?
The canonical SMILES for butyl-heptyl-hexyl-pentylazanium iodide is CCCCCCC[N+](CCCC)(CCCCC)CCCCCC.[I-].
What is the InChIKey of butyl-heptyl-hexyl-pentylazanium iodide?
The InChIKey is FOQLBUMBHWTVIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H48N.HI/c1-5-9-13-15-18-22-23(19-12-8-4,20-16-11-7-3)21-17-14-10-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1.
What are the key properties of butyl-heptyl-hexyl-pentylazanium iodide?
butyl-heptyl-hexyl-pentylazanium iodide has a molecular weight of 453.54 g/mol, XLogP of 4.35, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-heptyl-hexyl-pentylazanium iodide is sourced from PubChem (CID 71382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).