dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium

C23H50NS+ — CID 14625669

IUPACdodecyl-diethyl-(5-ethylsulfanylpentyl)azanium
SMILESCCCCCCCCCCCC[N+](CC)(CC)CCCCCSCC
InChIInChI=1S/C23H50NS/c1-5-9-10-11-12-13-14-15-16-18-21-24(6-2,7-3)22-19-17-20-23-25-8-4/h5-23H2,1-4H3/q+1
InChIKeyFJINRZUICMYPOZ-UHFFFAOYSA-N
MW372.73 g/mol
LogP7.69
Rot. Bonds20

About dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium

dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium (PubChem CID 14625669) has the molecular formula C23H50NS+ and a molecular weight of 372.73 g/mol. Its IUPAC name is dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium.

Molecular Properties

Compound Namedodecyl-diethyl-(5-ethylsulfanylpentyl)azanium
PubChem CID14625669
Molecular FormulaC23H50NS+
Molecular Weight372.73 g/mol
Exact Mass372.37
IUPAC Namedodecyl-diethyl-(5-ethylsulfanylpentyl)azanium
SMILESCCCCCCCCCCCC[N+](CC)(CC)CCCCCSCC
InChIInChI=1S/C23H50NS/c1-5-9-10-11-12-13-14-15-16-18-21-24(6-2,7-3)22-19-17-20-23-25-8-4/h5-23H2,1-4H3/q+1
InChIKeyFJINRZUICMYPOZ-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 3038862
CID 3038862
CID 3038864
CID 3038864
CID 3038878
CID 3038878
CID 3038880
CID 3038880
CID 25268922
CID 25268922
CID 25269619
CID 25269619
CID 25269621
CID 25269621
CID 480912
CID 480912
CID 135121818
CID 135121818
CID 328285
CID 328285
CID 429748
CID 429748
CID 11552684
CID 11552684

Frequently Asked Questions

What is the IUPAC name of dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium?
The IUPAC name of dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium (CID 14625669) is dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium.
What is the SMILES notation for dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium?
The canonical SMILES for dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium is CCCCCCCCCCCC[N+](CC)(CC)CCCCCSCC.
What is the InChIKey of dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium?
The InChIKey is FJINRZUICMYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50NS/c1-5-9-10-11-12-13-14-15-16-18-21-24(6-2,7-3)22-19-17-20-23-25-8-4/h5-23H2,1-4H3/q+1.
What are the key properties of dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium?
dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium has a molecular weight of 372.73 g/mol, XLogP of 7.69, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-diethyl-(5-ethylsulfanylpentyl)azanium is sourced from PubChem (CID 14625669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).