ethyl-pentadecyl-propan-2-ylazanium chloride

C20H44ClN — CID 134501182

IUPACethyl-pentadecyl-propan-2-ylazanium chloride
SMILESCCCCCCCCCCCCCCC[NH+](CC)C(C)C.[Cl-]
InChIInChI=1S/C20H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(6-2)20(3)4;/h20H,5-19H2,1-4H3;1H
InChIKeyCNSPHECZLORCSL-UHFFFAOYSA-N
MW334.03 g/mol
LogP2.39
Rot. Bonds16

About ethyl-pentadecyl-propan-2-ylazanium chloride

ethyl-pentadecyl-propan-2-ylazanium chloride (PubChem CID 134501182) has the molecular formula C20H44ClN and a molecular weight of 334.03 g/mol. Its IUPAC name is ethyl-pentadecyl-propan-2-ylazanium chloride.

Molecular Properties

Compound Nameethyl-pentadecyl-propan-2-ylazanium chloride
PubChem CID134501182
Molecular FormulaC20H44ClN
Molecular Weight334.03 g/mol
Exact Mass333.32
IUPAC Nameethyl-pentadecyl-propan-2-ylazanium chloride
SMILESCCCCCCCCCCCCCCC[NH+](CC)C(C)C.[Cl-]
InChIInChI=1S/C20H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(6-2)20(3)4;/h20H,5-19H2,1-4H3;1H
InChIKeyCNSPHECZLORCSL-UHFFFAOYSA-N
XLogP2.39
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.03
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl-pentadecyl-propan-2-ylazanium 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

ethyl-icosyl-propan-2-ylazanium chloride
CID 134501267
ethyl-pentadecyl-propan-2-ylazanium;octadecanoate
CID 134501383
methyl-octyl-propan-2-ylazanium chloride
CID 134501319
hexadecyl-methyl-propan-2-ylazanium chloride
CID 134500872
diethyl(tricosyl)azanium chloride
CID 141276977
ethyl-hexacosyl-methylazanium chloride
CID 87596133
butyl-hexyl-pentylazanium chloride
CID 139955344
docosyl-methyl-tetradecylazanium chloride
CID 141288943
undecane chloride
CID 19736895
ethane;heptane;2-methylpropane
CID 167499531
magnesium;undecane;dichloride
CID 175829094
azanium;dodecane;chloride
CID 172693740

Frequently Asked Questions

What is the IUPAC name of ethyl-pentadecyl-propan-2-ylazanium chloride?
The IUPAC name of ethyl-pentadecyl-propan-2-ylazanium chloride (CID 134501182) is ethyl-pentadecyl-propan-2-ylazanium chloride.
What is the SMILES notation for ethyl-pentadecyl-propan-2-ylazanium chloride?
The canonical SMILES for ethyl-pentadecyl-propan-2-ylazanium chloride is CCCCCCCCCCCCCCC[NH+](CC)C(C)C.[Cl-].
What is the InChIKey of ethyl-pentadecyl-propan-2-ylazanium chloride?
The InChIKey is CNSPHECZLORCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(6-2)20(3)4;/h20H,5-19H2,1-4H3;1H.
What are the key properties of ethyl-pentadecyl-propan-2-ylazanium chloride?
ethyl-pentadecyl-propan-2-ylazanium chloride has a molecular weight of 334.03 g/mol, XLogP of 2.39, 16 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-pentadecyl-propan-2-ylazanium chloride is sourced from PubChem (CID 134501182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).