hexyl-dimethyl-(4-methylphenyl)azanium chloride

C15H26ClN — CID 20509090

IUPAChexyl-dimethyl-(4-methylphenyl)azanium chloride
SMILESCCCCCC[N+](C)(C)c1ccc(C)cc1.[Cl-]
InChIInChI=1S/C15H26N.ClH/c1-5-6-7-8-13-16(3,4)15-11-9-14(2)10-12-15;/h9-12H,5-8,13H2,1-4H3;1H/q+1;/p-1
InChIKeyOISVNXUBDQBYFT-UHFFFAOYSA-M
MW255.83 g/mol
LogP1.15
Rot. Bonds6

About hexyl-dimethyl-(4-methylphenyl)azanium chloride

hexyl-dimethyl-(4-methylphenyl)azanium chloride (PubChem CID 20509090) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is hexyl-dimethyl-(4-methylphenyl)azanium chloride.

Molecular Properties

Compound Namehexyl-dimethyl-(4-methylphenyl)azanium chloride
PubChem CID20509090
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC Namehexyl-dimethyl-(4-methylphenyl)azanium chloride
SMILESCCCCCC[N+](C)(C)c1ccc(C)cc1.[Cl-]
InChIInChI=1S/C15H26N.ClH/c1-5-6-7-8-13-16(3,4)15-11-9-14(2)10-12-15;/h9-12H,5-8,13H2,1-4H3;1H/q+1;/p-1
InChIKeyOISVNXUBDQBYFT-UHFFFAOYSA-M
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexadecyl-[4-[hexadecyl(dimethyl)azaniumyl]phenyl]-dimethylazanium
CID 101113439
dimethyl-pentadecyl-phenylazanium chloride
CID 70606741
diethyl-icosyl-(4-methylphenyl)azanium chloride
CID 20509239
dimethyl-octyl-phenylazanium
CID 54404840
dodecyl-dimethyl-phenylazanium hydroxide
CID 70585680
dimethyl-octadecyl-(4-phenoxyphenyl)azanium
CID 118035898
bis(dimethyl-octadecyl-phenylazanium);sulfate
CID 67908951
diethyl-phenyl-tetradecylazanium;dimethyl-phenyl-tetradecylazanium;dihydroxide
CID 21316097
dimethyl-octadec-9-enyl-phenylazanium
CID 123303773
dimethyl-octadecyl-[4-(prop-2-enoylamino)phenyl]azanium chloride
CID 161019240
didodecyl(dimethyl)azanium;toluene;bromide
CID 158932799
azane;ethyl-dimethyl-(4-methylphenyl)azanium;bromide
CID 175439237

Frequently Asked Questions

What is the IUPAC name of hexyl-dimethyl-(4-methylphenyl)azanium chloride?
The IUPAC name of hexyl-dimethyl-(4-methylphenyl)azanium chloride (CID 20509090) is hexyl-dimethyl-(4-methylphenyl)azanium chloride.
What is the SMILES notation for hexyl-dimethyl-(4-methylphenyl)azanium chloride?
The canonical SMILES for hexyl-dimethyl-(4-methylphenyl)azanium chloride is CCCCCC[N+](C)(C)c1ccc(C)cc1.[Cl-].
What is the InChIKey of hexyl-dimethyl-(4-methylphenyl)azanium chloride?
The InChIKey is OISVNXUBDQBYFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H26N.ClH/c1-5-6-7-8-13-16(3,4)15-11-9-14(2)10-12-15;/h9-12H,5-8,13H2,1-4H3;1H/q+1;/p-1.
What are the key properties of hexyl-dimethyl-(4-methylphenyl)azanium chloride?
hexyl-dimethyl-(4-methylphenyl)azanium chloride has a molecular weight of 255.83 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-dimethyl-(4-methylphenyl)azanium chloride is sourced from PubChem (CID 20509090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).