2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride

C14H36F3N3O4 — CID 173445075

IUPAC2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
SMILESF.F.F.OCCN(CCO)CCCNCCCN(CCO)CCO
InChIInChI=1S/C14H33N3O4.3FH/c18-11-7-16(8-12-19)5-1-3-15-4-2-6-17(9-13-20)10-14-21;;;/h15,18-21H,1-14H2;3*1H
InChIKeyQDMCLCPXBMCSHR-UHFFFAOYSA-N
MW367.45 g/mol
LogP-1.61
Rot. Bonds16

About 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride

2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride (PubChem CID 173445075) has the molecular formula C14H36F3N3O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride.

Molecular Properties

Compound Name2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
PubChem CID173445075
Molecular FormulaC14H36F3N3O4
Molecular Weight367.45 g/mol
Exact Mass367.27
IUPAC Name2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
SMILESF.F.F.OCCN(CCO)CCCNCCCN(CCO)CCO
InChIInChI=1S/C14H33N3O4.3FH/c18-11-7-16(8-12-19)5-1-3-15-4-2-6-17(9-13-20)10-14-21;;;/h15,18-21H,1-14H2;3*1H
InChIKeyQDMCLCPXBMCSHR-UHFFFAOYSA-N
XLogP-1.61
TPSA99.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride 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

2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
CID 168932712
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
CID 134519108
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride?
The IUPAC name of 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride (CID 173445075) is 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride.
What is the SMILES notation for 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride?
The canonical SMILES for 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride is F.F.F.OCCN(CCO)CCCNCCCN(CCO)CCO.
What is the InChIKey of 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride?
The InChIKey is QDMCLCPXBMCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O4.3FH/c18-11-7-16(8-12-19)5-1-3-15-4-2-6-17(9-13-20)10-14-21;;;/h15,18-21H,1-14H2;3*1H.
What are the key properties of 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride?
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride has a molecular weight of 367.45 g/mol, XLogP of -1.61, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride is sourced from PubChem (CID 173445075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).