tributyl(heptyl)azanium

C19H42N+ — CID 5003685

IUPACtributyl(heptyl)azanium
SMILESCCCCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C19H42N/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-19H2,1-4H3/q+1
InChIKeyAQQOUVLRCMEMHI-UHFFFAOYSA-N
MW284.55 g/mol
LogP6.17
Rot. Bonds15

About tributyl(heptyl)azanium

tributyl(heptyl)azanium (PubChem CID 5003685) has the molecular formula C19H42N+ and a molecular weight of 284.55 g/mol. Its IUPAC name is tributyl(heptyl)azanium.

Molecular Properties

Compound Nametributyl(heptyl)azanium
PubChem CID5003685
Molecular FormulaC19H42N+
Molecular Weight284.55 g/mol
Exact Mass284.33
IUPAC Nametributyl(heptyl)azanium
SMILESCCCCCCC[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C19H42N/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-19H2,1-4H3/q+1
InChIKeyAQQOUVLRCMEMHI-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 56.17
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'}

Analyze tributyl(heptyl)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

tributyl(hexadecyl)azanium
CID 3083031
dibutyl(diheptyl)azanium
CID 87534229
tributyl(triacontyl)azanium
CID 153322884
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(heptyl)azanium?
The IUPAC name of tributyl(heptyl)azanium (CID 5003685) is tributyl(heptyl)azanium.
What is the SMILES notation for tributyl(heptyl)azanium?
The canonical SMILES for tributyl(heptyl)azanium is CCCCCCC[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(heptyl)azanium?
The InChIKey is AQQOUVLRCMEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-19H2,1-4H3/q+1.
What are the key properties of tributyl(heptyl)azanium?
tributyl(heptyl)azanium has a molecular weight of 284.55 g/mol, XLogP of 6.17, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(heptyl)azanium is sourced from PubChem (CID 5003685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).