di(nonyl)-dipentylazanium iodide

C28H60IN — CID 87777668

IUPACdi(nonyl)-dipentylazanium iodide
SMILESCCCCCCCCC[N+](CCCCC)(CCCCC)CCCCCCCCC.[I-]
InChIInChI=1S/C28H60N.HI/c1-5-9-13-15-17-19-23-27-29(25-21-11-7-3,26-22-12-8-4)28-24-20-18-16-14-10-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKeyQYCKGLSTZZPQAT-UHFFFAOYSA-M
MW537.70 g/mol
LogP6.69
Rot. Bonds24

About di(nonyl)-dipentylazanium iodide

di(nonyl)-dipentylazanium iodide (PubChem CID 87777668) has the molecular formula C28H60IN and a molecular weight of 537.70 g/mol. Its IUPAC name is di(nonyl)-dipentylazanium iodide.

Molecular Properties

Compound Namedi(nonyl)-dipentylazanium iodide
PubChem CID87777668
Molecular FormulaC28H60IN
Molecular Weight537.70 g/mol
Exact Mass537.38
IUPAC Namedi(nonyl)-dipentylazanium iodide
SMILESCCCCCCCCC[N+](CCCCC)(CCCCC)CCCCCCCCC.[I-]
InChIInChI=1S/C28H60N.HI/c1-5-9-13-15-17-19-23-27-29(25-21-11-7-3,26-22-12-8-4)28-24-20-18-16-14-10-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1
InChIKeyQYCKGLSTZZPQAT-UHFFFAOYSA-M
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.69
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

trioctyl(tetradecyl)azanium iodide
CID 87778484
triheptyl(nonyl)azanium iodide
CID 87778959
diheptyl-di(tetradecyl)azanium iodide
CID 87778887
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
hexadecyl(trihexyl)azanium
CID 19021069
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium
CID 11297032
tetradecyl-tri(undecyl)azanium
CID 87808796
trihexyl(nonyl)azanium
CID 87777679
dodecyl(triheptyl)azanium
CID 12049151
pentyl-tri(tridecyl)azanium
CID 87897500
octyl-tri(pentadecyl)azanium
CID 87809127
octadecyl-tri(undecyl)azanium
CID 87811974

Frequently Asked Questions

What is the IUPAC name of di(nonyl)-dipentylazanium iodide?
The IUPAC name of di(nonyl)-dipentylazanium iodide (CID 87777668) is di(nonyl)-dipentylazanium iodide.
What is the SMILES notation for di(nonyl)-dipentylazanium iodide?
The canonical SMILES for di(nonyl)-dipentylazanium iodide is CCCCCCCCC[N+](CCCCC)(CCCCC)CCCCCCCCC.[I-].
What is the InChIKey of di(nonyl)-dipentylazanium iodide?
The InChIKey is QYCKGLSTZZPQAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H60N.HI/c1-5-9-13-15-17-19-23-27-29(25-21-11-7-3,26-22-12-8-4)28-24-20-18-16-14-10-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1.
What are the key properties of di(nonyl)-dipentylazanium iodide?
di(nonyl)-dipentylazanium iodide has a molecular weight of 537.70 g/mol, XLogP of 6.69, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(nonyl)-dipentylazanium iodide is sourced from PubChem (CID 87777668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).