N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine

C29H64N2O3Si — CID 124824872

IUPACN'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine
SMILESCCCC[C@@H](CC)CO[Si](CCCNCCN)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC
InChIInChI=1S/C29H64N2O3Si/c1-7-13-17-27(10-4)24-32-35(23-16-21-31-22-20-30,33-25-28(11-5)18-14-8-2)34-26-29(12-6)19-15-9-3/h27-29,31H,7-26,30H2,1-6H3/t27-,28-,29-/m1/s1
InChIKeyJJJXKZYKNMHSMY-MPFGFTFXSA-N
MW516.93 g/mol
LogP7.56
Rot. Bonds27

About N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine

N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine (PubChem CID 124824872) has the molecular formula C29H64N2O3Si and a molecular weight of 516.93 g/mol. Its IUPAC name is N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine
PubChem CID124824872
Molecular FormulaC29H64N2O3Si
Molecular Weight516.93 g/mol
Exact Mass516.47
IUPAC NameN'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine
SMILESCCCC[C@@H](CC)CO[Si](CCCNCCN)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC
InChIInChI=1S/C29H64N2O3Si/c1-7-13-17-27(10-4)24-32-35(23-16-21-31-22-20-30,33-25-28(11-5)18-14-8-2)34-26-29(12-6)19-15-9-3/h27-29,31H,7-26,30H2,1-6H3/t27-,28-,29-/m1/s1
InChIKeyJJJXKZYKNMHSMY-MPFGFTFXSA-N
XLogP7.56
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.93
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethyl-(2-ethylhexoxy)-dimethoxysilane
CID 175827812
tributyl(2-ethylhexoxy)silane
CID 623167
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N'-[3-tri(butan-2-yloxy)silylpropyl]ethane-1,2-diamine
CID 18366419
ethyl tris(2-ethylhexyl) silicate
CID 20542505
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
5-ethyl-N-propylnonan-1-amine
CID 64504205
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174

Frequently Asked Questions

What is the IUPAC name of N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine (CID 124824872) is N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine is CCCC[C@@H](CC)CO[Si](CCCNCCN)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC.
What is the InChIKey of N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine?
The InChIKey is JJJXKZYKNMHSMY-MPFGFTFXSA-N. The full InChI is InChI=1S/C29H64N2O3Si/c1-7-13-17-27(10-4)24-32-35(23-16-21-31-22-20-30,33-25-28(11-5)18-14-8-2)34-26-29(12-6)19-15-9-3/h27-29,31H,7-26,30H2,1-6H3/t27-,28-,29-/m1/s1.
What are the key properties of N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine?
N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine has a molecular weight of 516.93 g/mol, XLogP of 7.56, 27 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-tris[(2R)-2-ethylhexoxy]silylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 124824872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).