benzyl(tridodecyl)azanium perchlorate

C43H82ClNO4 — CID 71370924

IUPACbenzyl(tridodecyl)azanium perchlorate
SMILESCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)Cc1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C43H82N.ClHO4/c1-4-7-10-13-16-19-22-25-28-34-39-44(42-43-37-32-31-33-38-43,40-35-29-26-23-20-17-14-11-8-5-2)41-36-30-27-24-21-18-15-12-9-6-3;2-1(3,4)5/h31-33,37-38H,4-30,34-36,39-42H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyFCUWWNBTYGLGCD-UHFFFAOYSA-M
MW712.58 g/mol
LogP10.01
Rot. Bonds35

About benzyl(tridodecyl)azanium perchlorate

benzyl(tridodecyl)azanium perchlorate (PubChem CID 71370924) has the molecular formula C43H82ClNO4 and a molecular weight of 712.58 g/mol. Its IUPAC name is benzyl(tridodecyl)azanium perchlorate.

Molecular Properties

Compound Namebenzyl(tridodecyl)azanium perchlorate
PubChem CID71370924
Molecular FormulaC43H82ClNO4
Molecular Weight712.58 g/mol
Exact Mass711.59
IUPAC Namebenzyl(tridodecyl)azanium perchlorate
SMILESCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)Cc1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C43H82N.ClHO4/c1-4-7-10-13-16-19-22-25-28-34-39-44(42-43-37-32-31-33-38-43,40-35-29-26-23-20-17-14-11-8-5-2)41-36-30-27-24-21-18-15-12-9-6-3;2-1(3,4)5/h31-33,37-38H,4-30,34-36,39-42H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyFCUWWNBTYGLGCD-UHFFFAOYSA-M
XLogP10.01
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.58
LogP ≤ 510.01
H-Bond Donors ≤ 50
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 benzyl(tridodecyl)azanium perchlorate 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

benzyl-tri(tetradecyl)azanium
CID 90292155
benzyl-butyl-didodecylazanium
CID 156729719
benzyl(triheptyl)azanium bromide
CID 88807131
benzyl(trimethyl)azanium;tetraoctylazanium;diperchlorate
CID 20552555
benzyl-heptadecyl-dipropylazanium
CID 160895154
tribenzyl(heptadecyl)azanium
CID 87810637
dibenzyl(dioctyl)azanium
CID 87777407
benzyl-dipropyl-undecylazanium chloride
CID 20525514
benzyl-dioctyl-propylazanium chloride
CID 88724211
tribenzyl(heptyl)azanium iodide
CID 87777653
tribenzyl(tetradecyl)azanium bromide
CID 87777599
dibenzyl(dihexyl)azanium bromide
CID 87778689

Frequently Asked Questions

What is the IUPAC name of benzyl(tridodecyl)azanium perchlorate?
The IUPAC name of benzyl(tridodecyl)azanium perchlorate (CID 71370924) is benzyl(tridodecyl)azanium perchlorate.
What is the SMILES notation for benzyl(tridodecyl)azanium perchlorate?
The canonical SMILES for benzyl(tridodecyl)azanium perchlorate is CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)Cc1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of benzyl(tridodecyl)azanium perchlorate?
The InChIKey is FCUWWNBTYGLGCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C43H82N.ClHO4/c1-4-7-10-13-16-19-22-25-28-34-39-44(42-43-37-32-31-33-38-43,40-35-29-26-23-20-17-14-11-8-5-2)41-36-30-27-24-21-18-15-12-9-6-3;2-1(3,4)5/h31-33,37-38H,4-30,34-36,39-42H2,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of benzyl(tridodecyl)azanium perchlorate?
benzyl(tridodecyl)azanium perchlorate has a molecular weight of 712.58 g/mol, XLogP of 10.01, 35 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(tridodecyl)azanium perchlorate is sourced from PubChem (CID 71370924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).