tris(2-(2-aminoethylamino)ethanol);titanium

C12H36N6O3Ti — CID 172707183

IUPACtris(2-(2-aminoethylamino)ethanol);titanium
SMILESNCCNCCO.NCCNCCO.NCCNCCO.[Ti]
InChIInChI=1S/3C4H12N2O.Ti/c3*5-1-2-6-3-4-7;/h3*6-7H,1-5H2;
InChIKeyCDJJRACKMYCILH-UHFFFAOYSA-N
MW360.33 g/mol
LogP-4.42
Rot. Bonds12

About tris(2-(2-aminoethylamino)ethanol);titanium

tris(2-(2-aminoethylamino)ethanol);titanium (PubChem CID 172707183) has the molecular formula C12H36N6O3Ti and a molecular weight of 360.33 g/mol. Its IUPAC name is tris(2-(2-aminoethylamino)ethanol);titanium.

Molecular Properties

Compound Nametris(2-(2-aminoethylamino)ethanol);titanium
PubChem CID172707183
Molecular FormulaC12H36N6O3Ti
Molecular Weight360.33 g/mol
Exact Mass360.23
IUPAC Nametris(2-(2-aminoethylamino)ethanol);titanium
SMILESNCCNCCO.NCCNCCO.NCCNCCO.[Ti]
InChIInChI=1S/3C4H12N2O.Ti/c3*5-1-2-6-3-4-7;/h3*6-7H,1-5H2;
InChIKeyCDJJRACKMYCILH-UHFFFAOYSA-N
XLogP-4.42
TPSA174.84 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 5-4.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
CID 173081890
CID 173081890
2-(2-aminoethylamino)ethanol;oxalate;silver
CID 88784741
2-(2-aminoethylamino)ethanol;triazine
CID 158530494
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565

Frequently Asked Questions

What is the IUPAC name of tris(2-(2-aminoethylamino)ethanol);titanium?
The IUPAC name of tris(2-(2-aminoethylamino)ethanol);titanium (CID 172707183) is tris(2-(2-aminoethylamino)ethanol);titanium.
What is the SMILES notation for tris(2-(2-aminoethylamino)ethanol);titanium?
The canonical SMILES for tris(2-(2-aminoethylamino)ethanol);titanium is NCCNCCO.NCCNCCO.NCCNCCO.[Ti].
What is the InChIKey of tris(2-(2-aminoethylamino)ethanol);titanium?
The InChIKey is CDJJRACKMYCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H12N2O.Ti/c3*5-1-2-6-3-4-7;/h3*6-7H,1-5H2;.
What are the key properties of tris(2-(2-aminoethylamino)ethanol);titanium?
tris(2-(2-aminoethylamino)ethanol);titanium has a molecular weight of 360.33 g/mol, XLogP of -4.42, 12 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2-aminoethylamino)ethanol);titanium is sourced from PubChem (CID 172707183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).