tetradecyl-tri(undecyl)azanium

C47H98N+ — CID 87808796

IUPACtetradecyl-tri(undecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](CCCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C47H98N/c1-5-9-13-17-21-25-26-27-31-35-39-43-47-48(44-40-36-32-28-22-18-14-10-6-2,45-41-37-33-29-23-19-15-11-7-3)46-42-38-34-30-24-20-16-12-8-4/h5-47H2,1-4H3/q+1
InChIKeyLCBCTFXDCQEEOE-UHFFFAOYSA-N
MW677.31 g/mol
LogP17.10
Rot. Bonds43

About tetradecyl-tri(undecyl)azanium

tetradecyl-tri(undecyl)azanium (PubChem CID 87808796) has the molecular formula C47H98N+ and a molecular weight of 677.31 g/mol. Its IUPAC name is tetradecyl-tri(undecyl)azanium.

Molecular Properties

Compound Nametetradecyl-tri(undecyl)azanium
PubChem CID87808796
Molecular FormulaC47H98N+
Molecular Weight677.31 g/mol
Exact Mass676.77
IUPAC Nametetradecyl-tri(undecyl)azanium
SMILESCCCCCCCCCCCCCC[N+](CCCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C47H98N/c1-5-9-13-17-21-25-26-27-31-35-39-43-47-48(44-40-36-32-28-22-18-14-10-6-2,45-41-37-33-29-23-19-15-11-7-3)46-42-38-34-30-24-20-16-12-8-4/h5-47H2,1-4H3/q+1
InChIKeyLCBCTFXDCQEEOE-UHFFFAOYSA-N
XLogP17.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds43
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.31
LogP ≤ 517.10
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 tetradecyl-tri(undecyl)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

octyl-tri(pentadecyl)azanium
CID 87809127
trihexyl(nonyl)azanium
CID 87777679
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516
pentyl-tri(tridecyl)azanium
CID 87897500
decyl-tri(undecyl)azanium
CID 87810629
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406
tetradecyl-tri(tridecyl)azanium
CID 87805804
heptyl(tripentyl)azanium
CID 87447622

Frequently Asked Questions

What is the IUPAC name of tetradecyl-tri(undecyl)azanium?
The IUPAC name of tetradecyl-tri(undecyl)azanium (CID 87808796) is tetradecyl-tri(undecyl)azanium.
What is the SMILES notation for tetradecyl-tri(undecyl)azanium?
The canonical SMILES for tetradecyl-tri(undecyl)azanium is CCCCCCCCCCCCCC[N+](CCCCCCCCCCC)(CCCCCCCCCCC)CCCCCCCCCCC.
What is the InChIKey of tetradecyl-tri(undecyl)azanium?
The InChIKey is LCBCTFXDCQEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H98N/c1-5-9-13-17-21-25-26-27-31-35-39-43-47-48(44-40-36-32-28-22-18-14-10-6-2,45-41-37-33-29-23-19-15-11-7-3)46-42-38-34-30-24-20-16-12-8-4/h5-47H2,1-4H3/q+1.
What are the key properties of tetradecyl-tri(undecyl)azanium?
tetradecyl-tri(undecyl)azanium has a molecular weight of 677.31 g/mol, XLogP of 17.10, 43 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl-tri(undecyl)azanium is sourced from PubChem (CID 87808796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).