1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol

C71H159N5O17Si2 — CID 161131691

IUPAC1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESCCC(CO)OCCN1CCOC1(C)C.CCCCC(CC)COCC(O)CN(CCC)CCC.CCCCC(CC)COCC(O)CN(CCO)CCO.CCCCC(CC)COCC(O)CNCCO.C[Si](C)(C)O[Si](C)(C)CCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C17H37NO2.C15H37NO5Si2.C15H33NO4.C13H29NO3.C11H23NO3/c1-5-9-10-16(8-4)14-20-15-17(19)13-18(11-6-2)12-7-3;1-22(2,3)21-23(4,5)12-6-11-20-14-15(19)13-16(7-9-17)8-10-18;1-3-5-6-14(4-2)12-20-13-15(19)11-16(7-9-17)8-10-18;1-3-5-6-12(4-2)10-17-11-13(16)9-14-7-8-15;1-4-10(9-13)14-7-5-12-6-8-15-11(12,2)3/h16-17,19H,5-15H2,1-4H3;15,17-19H,6-14H2,1-5H3;14-15,17-19H,3-13H2,1-2H3;12-16H,3-11H2,1-2H3;10,13H,4-9H2,1-3H3
InChIKeyUMGUAQJKBUIEDH-UHFFFAOYSA-N
MW1411.24 g/mol
LogP7.67
Rot. Bonds60

About 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 161131691) has the molecular formula C71H159N5O17Si2 and a molecular weight of 1411.24 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID161131691
Molecular FormulaC71H159N5O17Si2
Molecular Weight1411.24 g/mol
Exact Mass1410.13
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESCCC(CO)OCCN1CCOC1(C)C.CCCCC(CC)COCC(O)CN(CCC)CCC.CCCCC(CC)COCC(O)CN(CCO)CCO.CCCCC(CC)COCC(O)CNCCO.C[Si](C)(C)O[Si](C)(C)CCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C17H37NO2.C15H37NO5Si2.C15H33NO4.C13H29NO3.C11H23NO3/c1-5-9-10-16(8-4)14-20-15-17(19)13-18(11-6-2)12-7-3;1-22(2,3)21-23(4,5)12-6-11-20-14-15(19)13-16(7-9-17)8-10-18;1-3-5-6-14(4-2)12-20-13-15(19)11-16(7-9-17)8-10-18;1-3-5-6-12(4-2)10-17-11-13(16)9-14-7-8-15;1-4-10(9-13)14-7-5-12-6-8-15-11(12,2)3/h16-17,19H,5-15H2,1-4H3;15,17-19H,6-14H2,1-5H3;14-15,17-19H,3-13H2,1-2H3;12-16H,3-11H2,1-2H3;10,13H,4-9H2,1-3H3
InChIKeyUMGUAQJKBUIEDH-UHFFFAOYSA-N
XLogP7.67
TPSA291.90 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds60
Heavy Atoms95
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.24
LogP ≤ 57.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol (CID 161131691) is 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol is CCC(CO)OCCN1CCOC1(C)C.CCCCC(CC)COCC(O)CN(CCC)CCC.CCCCC(CC)COCC(O)CN(CCO)CCO.CCCCC(CC)COCC(O)CNCCO.C[Si](C)(C)O[Si](C)(C)CCCOCC(O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is UMGUAQJKBUIEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2.C15H37NO5Si2.C15H33NO4.C13H29NO3.C11H23NO3/c1-5-9-10-16(8-4)14-20-15-17(19)13-18(11-6-2)12-7-3;1-22(2,3)21-23(4,5)12-6-11-20-14-15(19)13-16(7-9-17)8-10-18;1-3-5-6-14(4-2)12-20-13-15(19)11-16(7-9-17)8-10-18;1-3-5-6-12(4-2)10-17-11-13(16)9-14-7-8-15;1-4-10(9-13)14-7-5-12-6-8-15-11(12,2)3/h16-17,19H,5-15H2,1-4H3;15,17-19H,6-14H2,1-5H3;14-15,17-19H,3-13H2,1-2H3;12-16H,3-11H2,1-2H3;10,13H,4-9H2,1-3H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 1411.24 g/mol, XLogP of 7.67, 60 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol;2-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-1-ol;1-(dipropylamino)-3-(2-ethylhexoxy)propan-2-ol;1-(2-ethylhexoxy)-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 161131691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).