azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride

C20H48Cl2N2O2 — CID 174874729

IUPACazane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC[N+](O)(O)CC.Cl.N.[Cl-]
InChIInChI=1S/C20H44NO2.2ClH.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,23)4-2;;;/h22-23H,3-20H2,1-2H3;2*1H;1H3/q+1;;;/p-1
InChIKeySKGOEDCIXPFYGF-UHFFFAOYSA-M
MW419.52 g/mol
LogP4.45
Rot. Bonds18

About azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride

azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride (PubChem CID 174874729) has the molecular formula C20H48Cl2N2O2 and a molecular weight of 419.52 g/mol. Its IUPAC name is azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride
PubChem CID174874729
Molecular FormulaC20H48Cl2N2O2
Molecular Weight419.52 g/mol
Exact Mass418.31
IUPAC Nameazane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC[N+](O)(O)CC.Cl.N.[Cl-]
InChIInChI=1S/C20H44NO2.2ClH.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,23)4-2;;;/h22-23H,3-20H2,1-2H3;2*1H;1H3/q+1;;;/p-1
InChIKeySKGOEDCIXPFYGF-UHFFFAOYSA-M
XLogP4.45
TPSA75.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butyl-dihydroxy-icosylazanium bromide
CID 174881725
didecyl-hydroxy-methylazanium chloride
CID 175336679
hydroxy-dimethyl-tetracosylazanium chloride
CID 158718920
azane;dodecyl(triethyl)azanium;hydrochloride
CID 174746836
diethyl-heptadecyl-hydroxyazanium
CID 158229667
hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
trihydroxy(tetracosyl)azanium
CID 175938405
azane;butyl-decyl-dimethylazanium;chloride;hydrochloride
CID 173206612
tetra(undecyl)azanium chloride
CID 86229497
azane;tetraoctadecylazanium
CID 172770815
tetrakis-decylazanium;trihydrochloride
CID 173223553
trihexyl-[12-(trihexylazaniumyl)dodecyl]azanium dichloride
CID 11505983

Frequently Asked Questions

What is the IUPAC name of azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride?
The IUPAC name of azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride (CID 174874729) is azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride.
What is the SMILES notation for azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride?
The canonical SMILES for azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride is CCCCCCCCCCCCCCCCCC[N+](O)(O)CC.Cl.N.[Cl-].
What is the InChIKey of azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride?
The InChIKey is SKGOEDCIXPFYGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44NO2.2ClH.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,23)4-2;;;/h22-23H,3-20H2,1-2H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride?
azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride has a molecular weight of 419.52 g/mol, XLogP of 4.45, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl-dihydroxy-octadecylazanium;chloride;hydrochloride is sourced from PubChem (CID 174874729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).