1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol

C17H42N2O8Si2 — CID 20741051

IUPAC1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
SMILESCO[Si](CCCNCCNCC(O)COCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H42N2O8Si2/c1-21-28(22-2,23-3)13-7-9-18-10-11-19-15-17(20)16-27-12-8-14-29(24-4,25-5)26-6/h17-20H,7-16H2,1-6H3
InChIKeyFJBBHCYRBVQYFF-UHFFFAOYSA-N
MW458.70 g/mol
LogP0.08
Rot. Bonds21

About 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol

1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol (PubChem CID 20741051) has the molecular formula C17H42N2O8Si2 and a molecular weight of 458.70 g/mol. Its IUPAC name is 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
PubChem CID20741051
Molecular FormulaC17H42N2O8Si2
Molecular Weight458.70 g/mol
Exact Mass458.25
IUPAC Name1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
SMILESCO[Si](CCCNCCNCC(O)COCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C17H42N2O8Si2/c1-21-28(22-2,23-3)13-7-9-18-10-11-19-15-17(20)16-27-12-8-14-29(24-4,25-5)26-6/h17-20H,7-16H2,1-6H3
InChIKeyFJBBHCYRBVQYFF-UHFFFAOYSA-N
XLogP0.08
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.70
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tetrakis[3-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]propyl-dimethylsilyl] silicate
CID 101498166
1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
CID 20591048
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 88536003
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-[5-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-[2-[2-[[2-hydroxy-3-[3-[hydroxy(dimethoxy)silyl]propoxy]propyl]amino]ethylamino]ethyl]amino]pentylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 147186478
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90896720
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 88535976
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105

Frequently Asked Questions

What is the IUPAC name of 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol (CID 20741051) is 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol is CO[Si](CCCNCCNCC(O)COCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol?
The InChIKey is FJBBHCYRBVQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N2O8Si2/c1-21-28(22-2,23-3)13-7-9-18-10-11-19-15-17(20)16-27-12-8-14-29(24-4,25-5)26-6/h17-20H,7-16H2,1-6H3.
What are the key properties of 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol?
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol has a molecular weight of 458.70 g/mol, XLogP of 0.08, 21 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 20741051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).