dimethyl-pentadecyl-phenylazanium chloride

C23H42ClN — CID 70606741

IUPACdimethyl-pentadecyl-phenylazanium chloride
SMILESCCCCCCCCCCCCCCC[N+](C)(C)c1ccccc1.[Cl-]
InChIInChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(2,3)23-20-17-16-18-21-23;/h16-18,20-21H,4-15,19,22H2,1-3H3;1H/q+1;/p-1
InChIKeyAHCHQHBBZVZWTJ-UHFFFAOYSA-M
MW368.05 g/mol
LogP4.35
Rot. Bonds15

About dimethyl-pentadecyl-phenylazanium chloride

dimethyl-pentadecyl-phenylazanium chloride (PubChem CID 70606741) has the molecular formula C23H42ClN and a molecular weight of 368.05 g/mol. Its IUPAC name is dimethyl-pentadecyl-phenylazanium chloride.

Molecular Properties

Compound Namedimethyl-pentadecyl-phenylazanium chloride
PubChem CID70606741
Molecular FormulaC23H42ClN
Molecular Weight368.05 g/mol
Exact Mass367.30
IUPAC Namedimethyl-pentadecyl-phenylazanium chloride
SMILESCCCCCCCCCCCCCCC[N+](C)(C)c1ccccc1.[Cl-]
InChIInChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(2,3)23-20-17-16-18-21-23;/h16-18,20-21H,4-15,19,22H2,1-3H3;1H/q+1;/p-1
InChIKeyAHCHQHBBZVZWTJ-UHFFFAOYSA-M
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.05
LogP ≤ 54.35
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 dimethyl-pentadecyl-phenylazanium 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

dimethyl-octyl-phenylazanium
CID 54404840
dodecyl-dimethyl-phenylazanium hydroxide
CID 70585680
bis(dimethyl-octadecyl-phenylazanium);sulfate
CID 67908951
diethyl-phenyl-tetradecylazanium;dimethyl-phenyl-tetradecylazanium;dihydroxide
CID 21316097
dimethyl-octadec-9-enyl-phenylazanium
CID 123303773
hexadecyl-[4-[hexadecyl(dimethyl)azaniumyl]phenyl]-dimethylazanium
CID 101113439
methyl-dioctadecyl-phenylazanium chloride
CID 157489990
dimethyl-octadecyl-(4-phenoxyphenyl)azanium
CID 118035898
hexyl-dimethyl-(4-methylphenyl)azanium chloride
CID 20509090
methyl-phenyl-di(tridecyl)azanium
CID 90292596
dodecyl-diethyl-phenylazanium chloride
CID 70521087
triphenyl(undecyl)azanium
CID 69395784

Frequently Asked Questions

What is the IUPAC name of dimethyl-pentadecyl-phenylazanium chloride?
The IUPAC name of dimethyl-pentadecyl-phenylazanium chloride (CID 70606741) is dimethyl-pentadecyl-phenylazanium chloride.
What is the SMILES notation for dimethyl-pentadecyl-phenylazanium chloride?
The canonical SMILES for dimethyl-pentadecyl-phenylazanium chloride is CCCCCCCCCCCCCCC[N+](C)(C)c1ccccc1.[Cl-].
What is the InChIKey of dimethyl-pentadecyl-phenylazanium chloride?
The InChIKey is AHCHQHBBZVZWTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(2,3)23-20-17-16-18-21-23;/h16-18,20-21H,4-15,19,22H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl-pentadecyl-phenylazanium chloride?
dimethyl-pentadecyl-phenylazanium chloride has a molecular weight of 368.05 g/mol, XLogP of 4.35, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pentadecyl-phenylazanium chloride is sourced from PubChem (CID 70606741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).