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

C18H42N4O5 — CID 168932712

IUPAC2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
SMILESOCCNCCCN(CCO)CCN(CCO)CCCN(CCO)CCO
InChIInChI=1S/C18H42N4O5/c23-14-4-19-3-1-5-20(10-15-24)8-9-21(11-16-25)6-2-7-22(12-17-26)13-18-27/h19,23-27H,1-18H2
InChIKeyBXRZDXWCTIAZDU-UHFFFAOYSA-N
MW394.56 g/mol
LogP-2.78
Rot. Bonds21

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

2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol (PubChem CID 168932712) has the molecular formula C18H42N4O5 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
PubChem CID168932712
Molecular FormulaC18H42N4O5
Molecular Weight394.56 g/mol
Exact Mass394.32
IUPAC Name2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
SMILESOCCNCCCN(CCO)CCN(CCO)CCCN(CCO)CCO
InChIInChI=1S/C18H42N4O5/c23-14-4-19-3-1-5-20(10-15-24)8-9-21(11-16-25)6-2-7-22(12-17-26)13-18-27/h19,23-27H,1-18H2
InChIKeyBXRZDXWCTIAZDU-UHFFFAOYSA-N
XLogP-2.78
TPSA122.90 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 5-2.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol with MolForge

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Related Compounds

2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
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
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol?
The IUPAC name of 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol (CID 168932712) is 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol?
The canonical SMILES for 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol is OCCNCCCN(CCO)CCN(CCO)CCCN(CCO)CCO.
What is the InChIKey of 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol?
The InChIKey is BXRZDXWCTIAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O5/c23-14-4-19-3-1-5-20(10-15-24)8-9-21(11-16-25)6-2-7-22(12-17-26)13-18-27/h19,23-27H,1-18H2.
What are the key properties of 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol?
2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol has a molecular weight of 394.56 g/mol, XLogP of -2.78, 21 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol is sourced from PubChem (CID 168932712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).