N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine

C20H52N4O6Si3 — CID 169060435

IUPACN'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
SMILESCCO[Si](CCCNCCN)(OCC)O[Si](C)(C)O[Si](CCCNCCN)(OCC)OCC
InChIInChI=1S/C20H52N4O6Si3/c1-7-25-32(26-8-2,19-11-15-23-17-13-21)29-31(5,6)30-33(27-9-3,28-10-4)20-12-16-24-18-14-22/h23-24H,7-22H2,1-6H3
InChIKeySHPABVJEWZHQCM-UHFFFAOYSA-N
MW528.92 g/mol
LogP1.62
Rot. Bonds24

About N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine

N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine (PubChem CID 169060435) has the molecular formula C20H52N4O6Si3 and a molecular weight of 528.92 g/mol. Its IUPAC name is N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
PubChem CID169060435
Molecular FormulaC20H52N4O6Si3
Molecular Weight528.92 g/mol
Exact Mass528.32
IUPAC NameN'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
SMILESCCO[Si](CCCNCCN)(OCC)O[Si](C)(C)O[Si](CCCNCCN)(OCC)OCC
InChIInChI=1S/C20H52N4O6Si3/c1-7-25-32(26-8-2,19-11-15-23-17-13-21)29-31(5,6)30-33(27-9-3,28-10-4)20-12-16-24-18-14-22/h23-24H,7-22H2,1-6H3
InChIKeySHPABVJEWZHQCM-UHFFFAOYSA-N
XLogP1.62
TPSA131.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.92
LogP ≤ 51.62
H-Bond Donors ≤ 54
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

N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
N'-[2-[ethoxy(dimethyl)silyl]ethyl]ethane-1,2-diamine
CID 153324417
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623525
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 162079222
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
N'-[3-[[methoxy(dimethyl)silyl]oxy-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine
CID 156629335
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine (CID 169060435) is N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine is CCO[Si](CCCNCCN)(OCC)O[Si](C)(C)O[Si](CCCNCCN)(OCC)OCC.
What is the InChIKey of N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine?
The InChIKey is SHPABVJEWZHQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H52N4O6Si3/c1-7-25-32(26-8-2,19-11-15-23-17-13-21)29-31(5,6)30-33(27-9-3,28-10-4)20-12-16-24-18-14-22/h23-24H,7-22H2,1-6H3.
What are the key properties of N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine?
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine has a molecular weight of 528.92 g/mol, XLogP of 1.62, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine is sourced from PubChem (CID 169060435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).