3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol

C24H54N4O6 — CID 138736421

IUPAC3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)CCN(CCN(CCCO)CCCO)CCN(CCCO)CCCO
InChIInChI=1S/C24H54N4O6/c29-19-1-7-25(8-2-20-30)13-16-28(17-14-26(9-3-21-31)10-4-22-32)18-15-27(11-5-23-33)12-6-24-34/h29-34H,1-24H2
InChIKeyZKTDCNGEUWXZCO-UHFFFAOYSA-N
MW494.72 g/mol
LogP-1.51
Rot. Bonds27

About 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol

3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol (PubChem CID 138736421) has the molecular formula C24H54N4O6 and a molecular weight of 494.72 g/mol. Its IUPAC name is 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
PubChem CID138736421
Molecular FormulaC24H54N4O6
Molecular Weight494.72 g/mol
Exact Mass494.40
IUPAC Name3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol
SMILESOCCCN(CCCO)CCN(CCN(CCCO)CCCO)CCN(CCCO)CCCO
InChIInChI=1S/C24H54N4O6/c29-19-1-7-25(8-2-20-30)13-16-28(17-14-26(9-3-21-31)10-4-22-32)18-15-27(11-5-23-33)12-6-24-34/h29-34H,1-24H2
InChIKeyZKTDCNGEUWXZCO-UHFFFAOYSA-N
XLogP-1.51
TPSA134.34 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 5-1.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol with MolForge

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Related Compounds

3,3',3'',3'''-(((3-Hydroxypropyl)imino)bis(ethylenenitrilo))tetrapropanol
CID 88067
3,3',3'',3'''-(Ethane-1,2-diylbis(azanetriyl))tetrakis(propan-1-ol)
CID 332247
3,3'-((2-((2-Hydroxyethyl)(3-hydroxypropyl)amino)ethyl)imino)dipropanol
CID 79444
2-[4,7,10-Tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 5232111
3,3'-[Ethane-1,2-diylbis(methylazanediyl)]di(propan-1-ol)
CID 14043735
2,2',2'',2'''-(1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrayl)tetra(ethan-1-ol)
CID 23422494
Tetrakis-hydroxypropyl-propylenediamine
CID 129670840
Bis(3-[4,8,11-tris(3-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-ol);octahydrate
CID 139153303
2-[4,7,10,13-Tetrakis(2-hydroxyethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]ethanol
CID 12985100
3-[4,7-Bis(3-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-1-ol
CID 13807819
2-[2-[Bis[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 15180778
2,2',2'',2'''-(1,4,8,12-Tetraazacyclopentadecane-1,4,8,12-tetrayl)tetra(ethan-1-ol)
CID 15776571

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol (CID 138736421) is 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol is OCCCN(CCCO)CCN(CCN(CCCO)CCCO)CCN(CCCO)CCCO.
What is the InChIKey of 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
The InChIKey is ZKTDCNGEUWXZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N4O6/c29-19-1-7-25(8-2-20-30)13-16-28(17-14-26(9-3-21-31)10-4-22-32)18-15-27(11-5-23-33)12-6-24-34/h29-34H,1-24H2.
What are the key properties of 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol?
3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol has a molecular weight of 494.72 g/mol, XLogP of -1.51, 27 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[2-[bis(3-hydroxypropyl)amino]ethyl]amino]ethyl-(3-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 138736421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).