azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid

C18H47N3O7S — CID 174235324

IUPACazane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid
SMILESCCCCCCCCCCCCC(CO)N(CCO)CCO.N.N.O=S(=O)(O)O
InChIInChI=1S/C18H39NO3.2H3N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(17-22)19(13-15-20)14-16-21;;;1-5(2,3)4/h18,20-22H,2-17H2,1H3;2*1H3;(H2,1,2,3,4)
InChIKeyWWMARWPLKJBGJZ-UHFFFAOYSA-N
MW449.66 g/mol
LogP2.62
Rot. Bonds17

About azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid

azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid (PubChem CID 174235324) has the molecular formula C18H47N3O7S and a molecular weight of 449.66 g/mol. Its IUPAC name is azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid.

Molecular Properties

Compound Nameazane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid
PubChem CID174235324
Molecular FormulaC18H47N3O7S
Molecular Weight449.66 g/mol
Exact Mass449.31
IUPAC Nameazane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid
SMILESCCCCCCCCCCCCC(CO)N(CCO)CCO.N.N.O=S(=O)(O)O
InChIInChI=1S/C18H39NO3.2H3N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(17-22)19(13-15-20)14-16-21;;;1-5(2,3)4/h18,20-22H,2-17H2,1H3;2*1H3;(H2,1,2,3,4)
InChIKeyWWMARWPLKJBGJZ-UHFFFAOYSA-N
XLogP2.62
TPSA208.53 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.66
LogP ≤ 52.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-hydroxyethyl)amino]hexadecan-1-ol;sulfuric acid
CID 162089252
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
5-methyldodecan-1-ol;sulfuric acid
CID 87950603
11-methylhexadecan-1-ol;sulfuric acid
CID 87591913
10-methylhexadecan-1-ol;sulfuric acid
CID 87592711
2-[1-hydroxybutan-2-yl(2-hydroxyethyl)amino]ethanesulfonic acid
CID 170223353
[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
CID 175579288
sulfuric acid;tetradecan-1-ol
CID 87699970
sulfuric acid;tridecane
CID 91872702
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129

Frequently Asked Questions

What is the IUPAC name of azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid?
The IUPAC name of azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid (CID 174235324) is azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid.
What is the SMILES notation for azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid?
The canonical SMILES for azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid is CCCCCCCCCCCCC(CO)N(CCO)CCO.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid?
The InChIKey is WWMARWPLKJBGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3.2H3N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(17-22)19(13-15-20)14-16-21;;;1-5(2,3)4/h18,20-22H,2-17H2,1H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid?
azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid has a molecular weight of 449.66 g/mol, XLogP of 2.62, 17 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid is sourced from PubChem (CID 174235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).