3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide

C23H53N2O7Si- — CID 163788234

IUPAC3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide
SMILESCCCCC(CC)COCC(O)CNCCCCCCNCC(O)COCCC[SiH-](O)(O)O
InChIInChI=1S/C23H53N2O7Si/c1-3-5-11-21(4-2)18-32-20-23(27)17-25-13-9-7-6-8-12-24-16-22(26)19-31-14-10-15-33(28,29)30/h21-30,33H,3-20H2,1-2H3/q-1
InChIKeyMUKJTDWFUZHJAH-UHFFFAOYSA-N
MW497.77 g/mol
LogP0.74
Rot. Bonds25

About 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide

3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide (PubChem CID 163788234) has the molecular formula C23H53N2O7Si- and a molecular weight of 497.77 g/mol. Its IUPAC name is 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide.

Molecular Properties

Compound Name3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide
PubChem CID163788234
Molecular FormulaC23H53N2O7Si-
Molecular Weight497.77 g/mol
Exact Mass497.36
IUPAC Name3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide
SMILESCCCCC(CC)COCC(O)CNCCCCCCNCC(O)COCCC[SiH-](O)(O)O
InChIInChI=1S/C23H53N2O7Si/c1-3-5-11-21(4-2)18-32-20-23(27)17-25-13-9-7-6-8-12-24-16-22(26)19-31-14-10-15-33(28,29)30/h21-30,33H,3-20H2,1-2H3/q-1
InChIKeyMUKJTDWFUZHJAH-UHFFFAOYSA-N
XLogP0.74
TPSA143.67 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 50.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide 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-ethylhexoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467652
1-(2-ethylhexoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211866
3-[3-[6-[bis[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propane-1-sulfonic acid
CID 166750505
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
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-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
1-[6-aminohexyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;1-[6-[bis[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexyl-[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;1-[6-[bis[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]hexylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol;10-[[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]-1-(3-trimethoxysilylpropoxy)decan-2-ol
CID 157436626
1-(2-ethylhexoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310378
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide?
The IUPAC name of 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide (CID 163788234) is 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide.
What is the SMILES notation for 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide?
The canonical SMILES for 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide is CCCCC(CC)COCC(O)CNCCCCCCNCC(O)COCCC[SiH-](O)(O)O.
What is the InChIKey of 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide?
The InChIKey is MUKJTDWFUZHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H53N2O7Si/c1-3-5-11-21(4-2)18-32-20-23(27)17-25-13-9-7-6-8-12-24-16-22(26)19-31-14-10-15-33(28,29)30/h21-30,33H,3-20H2,1-2H3/q-1.
What are the key properties of 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide?
3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide has a molecular weight of 497.77 g/mol, XLogP of 0.74, 25 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide is sourced from PubChem (CID 163788234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).