diethyl-naphthalen-1-yl-octadecylazanium chloride

C32H54ClN — CID 70522078

IUPACdiethyl-naphthalen-1-yl-octadecylazanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(CC)c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C32H54N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-33(5-2,6-3)32-28-24-26-30-25-21-22-27-31(30)32;/h21-22,24-28H,4-20,23,29H2,1-3H3;1H/q+1;/p-1
InChIKeyNCXONIQTRYSUBT-UHFFFAOYSA-M
MW488.24 g/mol
LogP7.45
Rot. Bonds20

About diethyl-naphthalen-1-yl-octadecylazanium chloride

diethyl-naphthalen-1-yl-octadecylazanium chloride (PubChem CID 70522078) has the molecular formula C32H54ClN and a molecular weight of 488.24 g/mol. Its IUPAC name is diethyl-naphthalen-1-yl-octadecylazanium chloride.

Molecular Properties

Compound Namediethyl-naphthalen-1-yl-octadecylazanium chloride
PubChem CID70522078
Molecular FormulaC32H54ClN
Molecular Weight488.24 g/mol
Exact Mass487.39
IUPAC Namediethyl-naphthalen-1-yl-octadecylazanium chloride
SMILESCCCCCCCCCCCCCCCCCC[N+](CC)(CC)c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C32H54N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-33(5-2,6-3)32-28-24-26-30-25-21-22-27-31(30)32;/h21-22,24-28H,4-20,23,29H2,1-3H3;1H/q+1;/p-1
InChIKeyNCXONIQTRYSUBT-UHFFFAOYSA-M
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.24
LogP ≤ 57.45
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 diethyl-naphthalen-1-yl-octadecylazanium chloride 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

naphthalen-1-yl-pentyl-dipropylazanium hydroxide
CID 70584582
dodecyl-diethyl-phenylazanium chloride
CID 70521087
heptane;phenanthrene
CID 157482146
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-heptadecyl-phenylazanium
CID 163210934
diethyl-icosyl-phenylazanium bromide
CID 163210919
diethyl-octyl-phenylazanium iodide
CID 175060834
dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
CID 88833984
(2-methylphenyl)-pentyl-dipropylazanium chloride
CID 70520938
1-tetradecylnaphthalene
CID 14402128
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
dodecane-1-thiol;naphthalene-1-thiol
CID 141238659

Frequently Asked Questions

What is the IUPAC name of diethyl-naphthalen-1-yl-octadecylazanium chloride?
The IUPAC name of diethyl-naphthalen-1-yl-octadecylazanium chloride (CID 70522078) is diethyl-naphthalen-1-yl-octadecylazanium chloride.
What is the SMILES notation for diethyl-naphthalen-1-yl-octadecylazanium chloride?
The canonical SMILES for diethyl-naphthalen-1-yl-octadecylazanium chloride is CCCCCCCCCCCCCCCCCC[N+](CC)(CC)c1cccc2ccccc12.[Cl-].
What is the InChIKey of diethyl-naphthalen-1-yl-octadecylazanium chloride?
The InChIKey is NCXONIQTRYSUBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H54N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-33(5-2,6-3)32-28-24-26-30-25-21-22-27-31(30)32;/h21-22,24-28H,4-20,23,29H2,1-3H3;1H/q+1;/p-1.
What are the key properties of diethyl-naphthalen-1-yl-octadecylazanium chloride?
diethyl-naphthalen-1-yl-octadecylazanium chloride has a molecular weight of 488.24 g/mol, XLogP of 7.45, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-naphthalen-1-yl-octadecylazanium chloride is sourced from PubChem (CID 70522078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).