1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol

C18H42N4O6 — CID 171850377

IUPAC1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COCC(CNC)(COCC(O)CNC)COCC(O)CNC
InChIInChI=1S/C18H42N4O6/c1-19-5-15(23)8-26-12-18(11-22-4,13-27-9-16(24)6-20-2)14-28-10-17(25)7-21-3/h15-17,19-25H,5-14H2,1-4H3
InChIKeyYHUYYITUKHTFGU-UHFFFAOYSA-N
MW410.56 g/mol
LogP-3.02
Rot. Bonds20

About 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol

1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol (PubChem CID 171850377) has the molecular formula C18H42N4O6 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol
PubChem CID171850377
Molecular FormulaC18H42N4O6
Molecular Weight410.56 g/mol
Exact Mass410.31
IUPAC Name1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COCC(CNC)(COCC(O)CNC)COCC(O)CNC
InChIInChI=1S/C18H42N4O6/c1-19-5-15(23)8-26-12-18(11-22-4,13-27-9-16(24)6-20-2)14-28-10-17(25)7-21-3/h15-17,19-25H,5-14H2,1-4H3
InChIKeyYHUYYITUKHTFGU-UHFFFAOYSA-N
XLogP-3.02
TPSA136.50 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 5-3.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

1-aminooxy-3-(methylamino)propan-2-ol;dihydrochloride
CID 19807381
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
3-amino-3-ethyl-1-[2-[2-[2-[2-hydroxy-3-(methylamino)propoxy]ethoxy]ethoxy]ethoxy]pentan-2-ol
CID 89316703
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
CID 137404860
1-(ethylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166141
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol
CID 164930760
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
[3-[3-[3-(diethylazaniumyl)-2-hydroxypropoxy]-2-[[3-[3-(diethylazaniumyl)-2-hydroxypropoxy]-2,2-bis[[3-(diethylazaniumyl)-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-(diethylazaniumyl)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]-diethylazanium
CID 140687747
1-(methylamino)-3-methylperoxypropan-2-ol;prop-1-ene
CID 91148129
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
CID 110181826
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol (CID 171850377) is 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol is CNCC(O)COCC(CNC)(COCC(O)CNC)COCC(O)CNC.
What is the InChIKey of 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol?
The InChIKey is YHUYYITUKHTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O6/c1-19-5-15(23)8-26-12-18(11-22-4,13-27-9-16(24)6-20-2)14-28-10-17(25)7-21-3/h15-17,19-25H,5-14H2,1-4H3.
What are the key properties of 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol?
1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol has a molecular weight of 410.56 g/mol, XLogP of -3.02, 20 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis[[2-hydroxy-3-(methylamino)propoxy]methyl]-3-(methylamino)propoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 171850377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).