1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol

C14H36N2O10Si2 — CID 58412214

IUPAC1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
SMILESNCCN(CC(O)COCCC[Si](O)(O)O)CC(O)COCCC[Si](O)(O)O
InChIInChI=1S/C14H36N2O10Si2/c15-3-4-16(9-13(17)11-25-5-1-7-27(19,20)21)10-14(18)12-26-6-2-8-28(22,23)24/h13-14,17-24H,1-12,15H2
InChIKeyBGGCXHIWORBROM-UHFFFAOYSA-N
MW448.62 g/mol
LogP-4.39
Rot. Bonds18

About 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol

1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol (PubChem CID 58412214) has the molecular formula C14H36N2O10Si2 and a molecular weight of 448.62 g/mol. Its IUPAC name is 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
PubChem CID58412214
Molecular FormulaC14H36N2O10Si2
Molecular Weight448.62 g/mol
Exact Mass448.19
IUPAC Name1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
SMILESNCCN(CC(O)COCCC[Si](O)(O)O)CC(O)COCCC[Si](O)(O)O
InChIInChI=1S/C14H36N2O10Si2/c15-3-4-16(9-13(17)11-25-5-1-7-27(19,20)21)10-14(18)12-26-6-2-8-28(22,23)24/h13-14,17-24H,1-12,15H2
InChIKeyBGGCXHIWORBROM-UHFFFAOYSA-N
XLogP-4.39
TPSA209.56 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500448.62
LogP ≤ 5-4.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-aminoethyl-[2-[2-[2-[bis[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethylamino]ethylamino]ethyl]amino]-3-(2-ethylhexoxy)propan-2-ol
CID 88535985
1-[2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412177
1-[6-[bis[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412184
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]ethyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethylamino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 88535995
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-[2-[bis[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 88536004
1-[3-[ethoxy(dimethyl)silyl]propoxy]-3-[3-[[3-[3-[ethoxy(dimethyl)silyl]propoxy]-2-hydroxypropyl]-ethylamino]propyl-ethylamino]propan-2-ol
CID 90049051
1-(2-hydroxypropylamino)-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412169
1-[bis(4-aminobutyl)amino]-3-(hydroxymethoxy)propan-2-ol
CID 88912044
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
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
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol?
The IUPAC name of 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol (CID 58412214) is 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol?
The canonical SMILES for 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol is NCCN(CC(O)COCCC[Si](O)(O)O)CC(O)COCCC[Si](O)(O)O.
What is the InChIKey of 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol?
The InChIKey is BGGCXHIWORBROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H36N2O10Si2/c15-3-4-16(9-13(17)11-25-5-1-7-27(19,20)21)10-14(18)12-26-6-2-8-28(22,23)24/h13-14,17-24H,1-12,15H2.
What are the key properties of 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol?
1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol has a molecular weight of 448.62 g/mol, XLogP of -4.39, 18 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol is sourced from PubChem (CID 58412214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).