N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane

C40H104N4O14Si4 — CID 161285955

IUPACN'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
SMILESC.C.C.C.CCCNCCN[Si](C)(O)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)(C)OC.C[Si](C)(O)CCCNCCN
InChIInChI=1S/C29H68N2O13Si3.C7H20N2OSi.4CH4/c1-7-9-30-10-11-31-47(6,33)44-46(5,43-45(3,4)34-2)29-8-13-35-15-17-37-19-21-39-23-25-41-27-28-42-26-24-40-22-20-38-18-16-36-14-12-32;1-11(2,10)7-3-5-9-6-4-8;;;;/h30-33H,7-29H2,1-6H3;9-10H,3-8H2,1-2H3;4*1H4
InChIKeyVFSJMKVFTGETRB-UHFFFAOYSA-N
MW977.63 g/mol
LogP3.77
Rot. Bonds44

About N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane

N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane (PubChem CID 161285955) has the molecular formula C40H104N4O14Si4 and a molecular weight of 977.63 g/mol. Its IUPAC name is N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane.

Molecular Properties

Compound NameN'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
PubChem CID161285955
Molecular FormulaC40H104N4O14Si4
Molecular Weight977.63 g/mol
Exact Mass976.66
IUPAC NameN'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
SMILESC.C.C.C.CCCNCCN[Si](C)(O)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)(C)OC.C[Si](C)(O)CCCNCCN
InChIInChI=1S/C29H68N2O13Si3.C7H20N2OSi.4CH4/c1-7-9-30-10-11-31-47(6,33)44-46(5,43-45(3,4)34-2)29-8-13-35-15-17-37-19-21-39-23-25-41-27-28-42-26-24-40-22-20-38-18-16-36-14-12-32;1-11(2,10)7-3-5-9-6-4-8;;;;/h30-33H,7-29H2,1-6H3;9-10H,3-8H2,1-2H3;4*1H4
InChIKeyVFSJMKVFTGETRB-UHFFFAOYSA-N
XLogP3.77
TPSA224.33 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.63
LogP ≤ 53.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
The IUPAC name of N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane (CID 161285955) is N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane.
What is the SMILES notation for N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
The canonical SMILES for N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane is C.C.C.C.CCCNCCN[Si](C)(O)O[Si](C)(CCCOCCOCCOCCOCCOCCOCCOCCOCCO)O[Si](C)(C)OC.C[Si](C)(O)CCCNCCN.
What is the InChIKey of N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
The InChIKey is VFSJMKVFTGETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H68N2O13Si3.C7H20N2OSi.4CH4/c1-7-9-30-10-11-31-47(6,33)44-46(5,43-45(3,4)34-2)29-8-13-35-15-17-37-19-21-39-23-25-41-27-28-42-26-24-40-22-20-38-18-16-36-14-12-32;1-11(2,10)7-3-5-9-6-4-8;;;;/h30-33H,7-29H2,1-6H3;9-10H,3-8H2,1-2H3;4*1H4.
What are the key properties of N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane?
N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane has a molecular weight of 977.63 g/mol, XLogP of 3.77, 44 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[hydroxy(dimethyl)silyl]propyl]ethane-1,2-diamine;2-[2-[2-[2-[2-[2-[2-[2-[3-[[hydroxy-methyl-[2-(propylamino)ethylamino]silyl]oxy-[methoxy(dimethyl)silyl]oxy-methylsilyl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane is sourced from PubChem (CID 161285955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).