nickel(2+);tetrakis(4-hydroxybutyl)azanium

C16H36NNiO4+3 — CID 159796209

IUPACnickel(2+);tetrakis(4-hydroxybutyl)azanium
SMILESOCCCC[N+](CCCCO)(CCCCO)CCCCO.[Ni+2]
InChIInChI=1S/C16H36NO4.Ni/c18-13-5-1-9-17(10-2-6-14-19,11-3-7-15-20)12-4-8-16-21;/h18-21H,1-16H2;/q+1;+2
InChIKeyNJFAIAXZUQSVOW-UHFFFAOYSA-N
MW365.16 g/mol
LogP0.89
Rot. Bonds16

About nickel(2+);tetrakis(4-hydroxybutyl)azanium

nickel(2+);tetrakis(4-hydroxybutyl)azanium (PubChem CID 159796209) has the molecular formula C16H36NNiO4+3 and a molecular weight of 365.16 g/mol. Its IUPAC name is nickel(2+);tetrakis(4-hydroxybutyl)azanium.

Molecular Properties

Compound Namenickel(2+);tetrakis(4-hydroxybutyl)azanium
PubChem CID159796209
Molecular FormulaC16H36NNiO4+3
Molecular Weight365.16 g/mol
Exact Mass364.20
IUPAC Namenickel(2+);tetrakis(4-hydroxybutyl)azanium
SMILESOCCCC[N+](CCCCO)(CCCCO)CCCCO.[Ni+2]
InChIInChI=1S/C16H36NO4.Ni/c18-13-5-1-9-17(10-2-6-14-19,11-3-7-15-20)12-4-8-16-21;/h18-21H,1-16H2;/q+1;+2
InChIKeyNJFAIAXZUQSVOW-UHFFFAOYSA-N
XLogP0.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.16
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze nickel(2+);tetrakis(4-hydroxybutyl)azanium 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

tetrakis(4-hydroxybutyl)azanium
CID 19093141
tridodecyl(12-hydroxydodecyl)azanium
CID 87522779
trihexyl(4-hydroxybutyl)azanium
CID 139954036
tris(4-hydroxybutyl)-octylazanium
CID 175345336
tetrakis(3-hydroxypropyl)azanium chloride
CID 19093166
tributyl(10-hydroxydecyl)azanium
CID 86017062
trihexyl(4-hydroxybutyl)azanium iodide
CID 139954035
butyl-(3-hydroxypropyl)-dipentylazanium bromide
CID 139955349
triethyl(11-hydroxyundecyl)azanium bromide
CID 71366854
didecyl-bis(2-hydroxyethyl)azanium hydroxide
CID 118483057
4-hydroxybutyl(trimethyl)azanium hydroxide
CID 13115255
butyl-hexyl-(3-hydroxypropyl)-pentylazanium chloride
CID 139954430

Frequently Asked Questions

What is the IUPAC name of nickel(2+);tetrakis(4-hydroxybutyl)azanium?
The IUPAC name of nickel(2+);tetrakis(4-hydroxybutyl)azanium (CID 159796209) is nickel(2+);tetrakis(4-hydroxybutyl)azanium.
What is the SMILES notation for nickel(2+);tetrakis(4-hydroxybutyl)azanium?
The canonical SMILES for nickel(2+);tetrakis(4-hydroxybutyl)azanium is OCCCC[N+](CCCCO)(CCCCO)CCCCO.[Ni+2].
What is the InChIKey of nickel(2+);tetrakis(4-hydroxybutyl)azanium?
The InChIKey is NJFAIAXZUQSVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO4.Ni/c18-13-5-1-9-17(10-2-6-14-19,11-3-7-15-20)12-4-8-16-21;/h18-21H,1-16H2;/q+1;+2.
What are the key properties of nickel(2+);tetrakis(4-hydroxybutyl)azanium?
nickel(2+);tetrakis(4-hydroxybutyl)azanium has a molecular weight of 365.16 g/mol, XLogP of 0.89, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tetrakis(4-hydroxybutyl)azanium is sourced from PubChem (CID 159796209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).