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

C15H44N6O4Ti — CID 76711756

IUPACtris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
SMILESCC(C)O.NCCNCCO.NCCNCCO.NCCNCCO.[Ti]
InChIInChI=1S/3C4H12N2O.C3H8O.Ti/c3*5-1-2-6-3-4-7;1-3(2)4;/h3*6-7H,1-5H2;3-4H,1-2H3;
InChIKeyAULAUSXNRYJKBP-UHFFFAOYSA-N
MW420.42 g/mol
LogP-4.03
Rot. Bonds12

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

tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium (PubChem CID 76711756) has the molecular formula C15H44N6O4Ti and a molecular weight of 420.42 g/mol. Its IUPAC name is tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium.

Molecular Properties

Compound Nametris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
PubChem CID76711756
Molecular FormulaC15H44N6O4Ti
Molecular Weight420.42 g/mol
Exact Mass420.29
IUPAC Nametris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
SMILESCC(C)O.NCCNCCO.NCCNCCO.NCCNCCO.[Ti]
InChIInChI=1S/3C4H12N2O.C3H8O.Ti/c3*5-1-2-6-3-4-7;1-3(2)4;/h3*6-7H,1-5H2;3-4H,1-2H3;
InChIKeyAULAUSXNRYJKBP-UHFFFAOYSA-N
XLogP-4.03
TPSA195.07 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 5-4.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366
2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
CID 18704362
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
CID 173081890
CID 173081890
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol
CID 141458925

Frequently Asked Questions

What is the IUPAC name of tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium?
The IUPAC name of tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium (CID 76711756) is tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium.
What is the SMILES notation for tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium?
The canonical SMILES for tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium is CC(C)O.NCCNCCO.NCCNCCO.NCCNCCO.[Ti].
What is the InChIKey of tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium?
The InChIKey is AULAUSXNRYJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H12N2O.C3H8O.Ti/c3*5-1-2-6-3-4-7;1-3(2)4;/h3*6-7H,1-5H2;3-4H,1-2H3;.
What are the key properties of tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium?
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium has a molecular weight of 420.42 g/mol, XLogP of -4.03, 12 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium is sourced from PubChem (CID 76711756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).