1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol

C24H52N2O4 — CID 59642201

IUPAC1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
SMILESCCCCC(CC)CNCC(O)COCCOCC(O)CNCC(CC)CCCC
InChIInChI=1S/C24H52N2O4/c1-5-9-11-21(7-3)15-25-17-23(27)19-29-13-14-30-20-24(28)18-26-16-22(8-4)12-10-6-2/h21-28H,5-20H2,1-4H3
InChIKeyNPWSUFFPDDGAML-UHFFFAOYSA-N
MW432.69 g/mol
LogP3.35
Rot. Bonds23

About 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol

1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol (PubChem CID 59642201) has the molecular formula C24H52N2O4 and a molecular weight of 432.69 g/mol. Its IUPAC name is 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
PubChem CID59642201
Molecular FormulaC24H52N2O4
Molecular Weight432.69 g/mol
Exact Mass432.39
IUPAC Name1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
SMILESCCCCC(CC)CNCC(O)COCCOCC(O)CNCC(CC)CCCC
InChIInChI=1S/C24H52N2O4/c1-5-9-11-21(7-3)15-25-17-23(27)19-29-13-14-30-20-24(28)18-26-16-22(8-4)12-10-6-2/h21-28H,5-20H2,1-4H3
InChIKeyNPWSUFFPDDGAML-UHFFFAOYSA-N
XLogP3.35
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.69
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

11,14-Dioxa-7,18-diazatetracosane-9,16-diol
CID 12838853
5,8-Dimethyl-4,7,10,13,16-pentaoxa-19-azatritriacontan-2-ol
CID 138401763
1-(2-Hydroxyethylamino)-3-[10-(2-ethylhexyloxy)decyloxy]-2-propanol
CID 9865904
1-(Decylamino)-3-propan-2-yloxypropan-2-ol
CID 14996339
1-(Dodecylamino)-3-[(propan-2-yl)oxy]propan-2-ol
CID 14996344
1-[[6-[Bis(3-butoxy-2-hydroxypropyl)amino]-3,3,5-trimethylhexyl]amino]-3-butoxypropan-2-ol
CID 20767124
1-[[8-Amino-5-(aminomethyl)octyl]amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 23516611
3-(2-Ethylhexylamino)propane-1,2-diol
CID 24821884
1-[2-[2-[2-Hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-(octylamino)propoxy]propoxy]propoxy]propyl]-octylamino]propoxy]propoxy]propoxy]-3-(octylamino)propan-2-ol
CID 58399680
1-(Dodecylamino)-3-[2-[2-[3-[dodecyl-[3-[2-[2-[3-(dodecylamino)-2-hydroxypropoxy]propoxy]propoxy]-2-hydroxypropyl]amino]-2-hydroxypropoxy]propoxy]propoxy]propan-2-ol
CID 58399682
1-[6-Aminohexyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 58412172
1-[6-Aminohexyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412175

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol (CID 59642201) is 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol is CCCCC(CC)CNCC(O)COCCOCC(O)CNCC(CC)CCCC.
What is the InChIKey of 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
The InChIKey is NPWSUFFPDDGAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O4/c1-5-9-11-21(7-3)15-25-17-23(27)19-29-13-14-30-20-24(28)18-26-16-22(8-4)12-10-6-2/h21-28H,5-20H2,1-4H3.
What are the key properties of 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol?
1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol has a molecular weight of 432.69 g/mol, XLogP of 3.35, 23 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 59642201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).