N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine

C28H74N4O13Si6 — CID 123991362

IUPACN'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine
SMILESCCC[Si](OC)(OC)O[Si](CCNCCN)(OC)O[Si](CCC)(OC)O[Si](CCNCCN)(OC)O[Si](CCC)(OC)O[Si](CCC)(OC)OC
InChIInChI=1S/C28H74N4O13Si6/c1-13-23-46(33-5,34-6)41-48(37-9,25-15-3)43-51(40-12,28-22-32-20-18-30)45-49(38-10,26-16-4)44-50(39-11,27-21-31-19-17-29)42-47(35-7,36-8)24-14-2/h31-32H,13-30H2,1-12H3
InChIKeyGVNWANMKYSJYCP-UHFFFAOYSA-N
MW843.43 g/mol
LogP2.61
Rot. Bonds36

About N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine

N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine (PubChem CID 123991362) has the molecular formula C28H74N4O13Si6 and a molecular weight of 843.43 g/mol. Its IUPAC name is N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine
PubChem CID123991362
Molecular FormulaC28H74N4O13Si6
Molecular Weight843.43 g/mol
Exact Mass842.39
IUPAC NameN'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine
SMILESCCC[Si](OC)(OC)O[Si](CCNCCN)(OC)O[Si](CCC)(OC)O[Si](CCNCCN)(OC)O[Si](CCC)(OC)O[Si](CCC)(OC)OC
InChIInChI=1S/C28H74N4O13Si6/c1-13-23-46(33-5,34-6)41-48(37-9,25-15-3)43-51(40-12,28-22-32-20-18-30)45-49(38-10,26-16-4)44-50(39-11,27-21-31-19-17-29)42-47(35-7,36-8)24-14-2/h31-32H,13-30H2,1-12H3
InChIKeyGVNWANMKYSJYCP-UHFFFAOYSA-N
XLogP2.61
TPSA196.09 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.43
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
CID 171623472
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
CID 171623611
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N-(2-trimethoxysilylethyl)hexan-1-amine
CID 87738268
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine (CID 123991362) is N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine is CCC[Si](OC)(OC)O[Si](CCNCCN)(OC)O[Si](CCC)(OC)O[Si](CCNCCN)(OC)O[Si](CCC)(OC)O[Si](CCC)(OC)OC.
What is the InChIKey of N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine?
The InChIKey is GVNWANMKYSJYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H74N4O13Si6/c1-13-23-46(33-5,34-6)41-48(37-9,25-15-3)43-51(40-12,28-22-32-20-18-30)45-49(38-10,26-16-4)44-50(39-11,27-21-31-19-17-29)42-47(35-7,36-8)24-14-2/h31-32H,13-30H2,1-12H3.
What are the key properties of N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine?
N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine has a molecular weight of 843.43 g/mol, XLogP of 2.61, 36 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 123991362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).