tributyl(triacontyl)azanium

C42H88N+ — CID 153322884

IUPACtributyl(triacontyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C42H88N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-43(39-10-6-2,40-11-7-3)41-12-8-4/h5-42H2,1-4H3/q+1
InChIKeyFRJCTWCKZXBYID-UHFFFAOYSA-N
MW607.17 g/mol
LogP15.15
Rot. Bonds38

About tributyl(triacontyl)azanium

tributyl(triacontyl)azanium (PubChem CID 153322884) has the molecular formula C42H88N+ and a molecular weight of 607.17 g/mol. Its IUPAC name is tributyl(triacontyl)azanium.

Molecular Properties

Compound Nametributyl(triacontyl)azanium
PubChem CID153322884
Molecular FormulaC42H88N+
Molecular Weight607.17 g/mol
Exact Mass606.69
IUPAC Nametributyl(triacontyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C42H88N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-43(39-10-6-2,40-11-7-3)41-12-8-4/h5-42H2,1-4H3/q+1
InChIKeyFRJCTWCKZXBYID-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.17
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
tributyl(heptyl)azanium
CID 5003685
tributyl(dodecyl)azanium bromide
CID 19858509
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
dibutyl(dihexadecyl)azanium bromide
CID 87776722
dibutyl(dihexadecyl)azanium chloride
CID 87778770
tributyl(octacosyl)azanium bromide
CID 153322850
octyl-tri(pentadecyl)azanium
CID 87809127
tri(heptadecyl)-octylazanium
CID 87809516
pentyl-tri(tridecyl)azanium
CID 87897500

Frequently Asked Questions

What is the IUPAC name of tributyl(triacontyl)azanium?
The IUPAC name of tributyl(triacontyl)azanium (CID 153322884) is tributyl(triacontyl)azanium.
What is the SMILES notation for tributyl(triacontyl)azanium?
The canonical SMILES for tributyl(triacontyl)azanium is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(triacontyl)azanium?
The InChIKey is FRJCTWCKZXBYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H88N/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-43(39-10-6-2,40-11-7-3)41-12-8-4/h5-42H2,1-4H3/q+1.
What are the key properties of tributyl(triacontyl)azanium?
tributyl(triacontyl)azanium has a molecular weight of 607.17 g/mol, XLogP of 15.15, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(triacontyl)azanium is sourced from PubChem (CID 153322884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).