triheptyl(nonyl)azanium iodide

C30H64IN — CID 87778959

IUPACtriheptyl(nonyl)azanium iodide
SMILESCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-]
InChIInChI=1S/C30H64N.HI/c1-5-9-13-17-18-22-26-30-31(27-23-19-14-10-6-2,28-24-20-15-11-7-3)29-25-21-16-12-8-4;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeyBURODNJGIVPRNA-UHFFFAOYSA-M
MW565.75 g/mol
LogP7.47
Rot. Bonds26

About triheptyl(nonyl)azanium iodide

triheptyl(nonyl)azanium iodide (PubChem CID 87778959) has the molecular formula C30H64IN and a molecular weight of 565.75 g/mol. Its IUPAC name is triheptyl(nonyl)azanium iodide.

Molecular Properties

Compound Nametriheptyl(nonyl)azanium iodide
PubChem CID87778959
Molecular FormulaC30H64IN
Molecular Weight565.75 g/mol
Exact Mass565.41
IUPAC Nametriheptyl(nonyl)azanium iodide
SMILESCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-]
InChIInChI=1S/C30H64N.HI/c1-5-9-13-17-18-22-26-30-31(27-23-19-14-10-6-2,28-24-20-15-11-7-3)29-25-21-16-12-8-4;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKeyBURODNJGIVPRNA-UHFFFAOYSA-M
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.75
LogP ≤ 57.47
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'}

Analyze triheptyl(nonyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trioctyl(tetradecyl)azanium iodide
CID 87778484
di(nonyl)-dipentylazanium iodide
CID 87777668
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 triheptyl(nonyl)azanium iodide?
The IUPAC name of triheptyl(nonyl)azanium iodide (CID 87778959) is triheptyl(nonyl)azanium iodide.
What is the SMILES notation for triheptyl(nonyl)azanium iodide?
The canonical SMILES for triheptyl(nonyl)azanium iodide is CCCCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-].
What is the InChIKey of triheptyl(nonyl)azanium iodide?
The InChIKey is BURODNJGIVPRNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H64N.HI/c1-5-9-13-17-18-22-26-30-31(27-23-19-14-10-6-2,28-24-20-15-11-7-3)29-25-21-16-12-8-4;/h5-30H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triheptyl(nonyl)azanium iodide?
triheptyl(nonyl)azanium iodide has a molecular weight of 565.75 g/mol, XLogP of 7.47, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triheptyl(nonyl)azanium iodide is sourced from PubChem (CID 87778959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).