tris(2-aminoethanol);propan-2-ol;titanium

C9H29N3O4Ti — CID 173415669

IUPACtris(2-aminoethanol);propan-2-ol;titanium
SMILESCC(C)O.NCCO.NCCO.NCCO.[Ti]
InChIInChI=1S/C3H8O.3C2H7NO.Ti/c1-3(2)4;3*3-1-2-4;/h3-4H,1-2H3;3*4H,1-3H2;
InChIKeyHEJLXMBEOPFACT-UHFFFAOYSA-N
MW291.22 g/mol
LogP-2.80
Rot. Bonds3

About tris(2-aminoethanol);propan-2-ol;titanium

tris(2-aminoethanol);propan-2-ol;titanium (PubChem CID 173415669) has the molecular formula C9H29N3O4Ti and a molecular weight of 291.22 g/mol. Its IUPAC name is tris(2-aminoethanol);propan-2-ol;titanium.

Molecular Properties

Compound Nametris(2-aminoethanol);propan-2-ol;titanium
PubChem CID173415669
Molecular FormulaC9H29N3O4Ti
Molecular Weight291.22 g/mol
Exact Mass291.16
IUPAC Nametris(2-aminoethanol);propan-2-ol;titanium
SMILESCC(C)O.NCCO.NCCO.NCCO.[Ti]
InChIInChI=1S/C3H8O.3C2H7NO.Ti/c1-3(2)4;3*3-1-2-4;/h3-4H,1-2H3;3*4H,1-3H2;
InChIKeyHEJLXMBEOPFACT-UHFFFAOYSA-N
XLogP-2.80
TPSA158.98 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 5-2.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

2-aminoethanol;bis(1-aminopropan-2-ol)
CID 88781577
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
CID 173459729
2-aminoethanol;ethane
CID 90703907
2-aminoethanol;propane-1,1-diol
CID 88518162
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
2-aminoethanol
CID 87375731
2-aminoethanol
CID 159229127
2-(15N)azanylethanol
CID 10329242
2-aminoethanol;2-hydroxypropanal
CID 88787093
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
CID 87932046
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoethanol);propan-2-ol;titanium?
The IUPAC name of tris(2-aminoethanol);propan-2-ol;titanium (CID 173415669) is tris(2-aminoethanol);propan-2-ol;titanium.
What is the SMILES notation for tris(2-aminoethanol);propan-2-ol;titanium?
The canonical SMILES for tris(2-aminoethanol);propan-2-ol;titanium is CC(C)O.NCCO.NCCO.NCCO.[Ti].
What is the InChIKey of tris(2-aminoethanol);propan-2-ol;titanium?
The InChIKey is HEJLXMBEOPFACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.3C2H7NO.Ti/c1-3(2)4;3*3-1-2-4;/h3-4H,1-2H3;3*4H,1-3H2;.
What are the key properties of tris(2-aminoethanol);propan-2-ol;titanium?
tris(2-aminoethanol);propan-2-ol;titanium has a molecular weight of 291.22 g/mol, XLogP of -2.80, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoethanol);propan-2-ol;titanium is sourced from PubChem (CID 173415669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).