2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)

C10H20N2O4Ti — CID 155906116

IUPAC2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)
SMILES[O-]CCN(CC[O-])CCN(CC[O-])CC[O-].[Ti+4]
InChIInChI=1S/C10H20N2O4.Ti/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16;/h1-10H2;/q-4;+4
InChIKeyHSISIFZIBVZEQJ-UHFFFAOYSA-N
MW280.15 g/mol
LogP-4.97
Rot. Bonds11

About 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)

2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+) (PubChem CID 155906116) has the molecular formula C10H20N2O4Ti and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+).

Molecular Properties

Compound Name2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)
PubChem CID155906116
Molecular FormulaC10H20N2O4Ti
Molecular Weight280.15 g/mol
Exact Mass280.09
IUPAC Name2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)
SMILES[O-]CCN(CC[O-])CCN(CC[O-])CC[O-].[Ti+4]
InChIInChI=1S/C10H20N2O4.Ti/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16;/h1-10H2;/q-4;+4
InChIKeyHSISIFZIBVZEQJ-UHFFFAOYSA-N
XLogP-4.97
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 5-4.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(2-oxidoethyl)amino]ethanolate;molybdenum(4+);hydroxide;hydrate
CID 170843989
dicopper;bis(2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanolate);dinitrate
CID 139142088
lithium 2-(diethylamino)ethanolate
CID 23694650
2-[2-oxonioethyl(propyl)amino]ethanolate
CID 163446228
2-[methyl(2-oxidoethyl)amino]ethanolate
CID 102469150
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
bis(2-[bis(2-hydroxyethyl)amino]ethanol);bis(butan-1-olate);zirconium(2+)
CID 158125948
bis(cobalt(3+));hexakis(2,2-dimethylpropanoate);bis(holmium(3+));bis(2-[2-hydroxyethyl(2-oxidoethyl)amino]ethanolate);methanolate
CID 139170313
dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)
CID 15978004
2-[bis(2-oxidoethyl)amino]ethanolate;1,1,2,2,3,3,4,4-octafluoro-6-iodohexane;silicon(4+)
CID 3077859
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)?
The IUPAC name of 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+) (CID 155906116) is 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+).
What is the SMILES notation for 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)?
The canonical SMILES for 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+) is [O-]CCN(CC[O-])CCN(CC[O-])CC[O-].[Ti+4].
What is the InChIKey of 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)?
The InChIKey is HSISIFZIBVZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.Ti/c13-7-3-11(4-8-14)1-2-12(5-9-15)6-10-16;/h1-10H2;/q-4;+4.
What are the key properties of 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+)?
2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+) has a molecular weight of 280.15 g/mol, XLogP of -4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-oxidoethyl)amino]ethyl-(2-oxidoethyl)amino]ethanolate;titanium(4+) is sourced from PubChem (CID 155906116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).