bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol

C14H37N2O9Ti+ — CID 88731920

IUPACbis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol
SMILESCCCO[N+](CCO)(CCO)OCCC.O=[Ti](O)O.OCCNCCO
InChIInChI=1S/C10H24NO4.C4H11NO2.2H2O.O.Ti/c1-3-9-14-11(5-7-12,6-8-13)15-10-4-2;6-3-1-5-2-4-7;;;;/h12-13H,3-10H2,1-2H3;5-7H,1-4H2;2*1H2;;/q+1;;;;;+2/p-2
InChIKeyRWZKCEZJHONJSV-UHFFFAOYSA-L
MW425.32 g/mol
LogP-2.20
Rot. Bonds14

About bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol

bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol (PubChem CID 88731920) has the molecular formula C14H37N2O9Ti+ and a molecular weight of 425.32 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol
PubChem CID88731920
Molecular FormulaC14H37N2O9Ti+
Molecular Weight425.32 g/mol
Exact Mass425.20
IUPAC Namebis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol
SMILESCCCO[N+](CCO)(CCO)OCCC.O=[Ti](O)O.OCCNCCO
InChIInChI=1S/C10H24NO4.C4H11NO2.2H2O.O.Ti/c1-3-9-14-11(5-7-12,6-8-13)15-10-4-2;6-3-1-5-2-4-7;;;;/h12-13H,3-10H2,1-2H3;5-7H,1-4H2;2*1H2;;/q+1;;;;;+2/p-2
InChIKeyRWZKCEZJHONJSV-UHFFFAOYSA-L
XLogP-2.20
TPSA168.94 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 5-2.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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

bis(2-hydroxyethoxy)-dipropylazanium
CID 88798056
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
2-(propylamino)ethanol;hydrobromide
CID 175488073
propyl 2-(2-hydroxyethylamino)acetate
CID 82358534
2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
CID 166951317
dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
CID 87195022
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
dihydroxy(oxo)titanium;ethanol
CID 173240898
2-(2-hydroxyethoxy)ethanol;2-(2-hydroxyethylamino)ethanol
CID 19899992
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol (CID 88731920) is bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol is CCCO[N+](CCO)(CCO)OCCC.O=[Ti](O)O.OCCNCCO.
What is the InChIKey of bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol?
The InChIKey is RWZKCEZJHONJSV-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H24NO4.C4H11NO2.2H2O.O.Ti/c1-3-9-14-11(5-7-12,6-8-13)15-10-4-2;6-3-1-5-2-4-7;;;;/h12-13H,3-10H2,1-2H3;5-7H,1-4H2;2*1H2;;/q+1;;;;;+2/p-2.
What are the key properties of bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol?
bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol has a molecular weight of 425.32 g/mol, XLogP of -2.20, 14 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 88731920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).