hexadecyl-dimethyl-(5-methylhexyl)azanium

C25H54N+ — CID 160742680

IUPAChexadecyl-dimethyl-(5-methylhexyl)azanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCCCC(C)C
InChIInChI=1S/C25H54N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(4,5)24-21-19-22-25(2)3/h25H,6-24H2,1-5H3/q+1
InChIKeyXLIDSGWEXOSHLF-UHFFFAOYSA-N
MW368.71 g/mol
LogP8.37
Rot. Bonds20

About hexadecyl-dimethyl-(5-methylhexyl)azanium

hexadecyl-dimethyl-(5-methylhexyl)azanium (PubChem CID 160742680) has the molecular formula C25H54N+ and a molecular weight of 368.71 g/mol. Its IUPAC name is hexadecyl-dimethyl-(5-methylhexyl)azanium.

Molecular Properties

Compound Namehexadecyl-dimethyl-(5-methylhexyl)azanium
PubChem CID160742680
Molecular FormulaC25H54N+
Molecular Weight368.71 g/mol
Exact Mass368.43
IUPAC Namehexadecyl-dimethyl-(5-methylhexyl)azanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCCCC(C)C
InChIInChI=1S/C25H54N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(4,5)24-21-19-22-25(2)3/h25H,6-24H2,1-5H3/q+1
InChIKeyXLIDSGWEXOSHLF-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 58.37
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'}

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Related Compounds

icosyl-dimethyl-(3-methylbutyl)azanium
CID 158632854
dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
dimethyl-(21-methyl-18-silyldocosyl)-octadecylazanium
CID 151093423
dimethyl-bis(6-octylhexadecyl)azanium
CID 132523612
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
dodecyl-dimethyl-undecylazanium
CID 21491028
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
heptyl-dimethyl-undecylazanium
CID 122480849
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of hexadecyl-dimethyl-(5-methylhexyl)azanium?
The IUPAC name of hexadecyl-dimethyl-(5-methylhexyl)azanium (CID 160742680) is hexadecyl-dimethyl-(5-methylhexyl)azanium.
What is the SMILES notation for hexadecyl-dimethyl-(5-methylhexyl)azanium?
The canonical SMILES for hexadecyl-dimethyl-(5-methylhexyl)azanium is CCCCCCCCCCCCCCCC[N+](C)(C)CCCCC(C)C.
What is the InChIKey of hexadecyl-dimethyl-(5-methylhexyl)azanium?
The InChIKey is XLIDSGWEXOSHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(4,5)24-21-19-22-25(2)3/h25H,6-24H2,1-5H3/q+1.
What are the key properties of hexadecyl-dimethyl-(5-methylhexyl)azanium?
hexadecyl-dimethyl-(5-methylhexyl)azanium has a molecular weight of 368.71 g/mol, XLogP of 8.37, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-dimethyl-(5-methylhexyl)azanium is sourced from PubChem (CID 160742680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).