N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane

C16H52N2O5Si4 — CID 158491492

IUPACN'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane
SMILESC.C.C.C.C[Si](C)(O)O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O
InChIInChI=1S/C12H36N2O5Si4.4CH4/c1-20(2,15)17-22(5,6)19-23(7,18-21(3,4)16)12-8-10-14-11-9-13;;;;/h14-16H,8-13H2,1-7H3;4*1H4
InChIKeyHITCIAKUEBPGJX-UHFFFAOYSA-N
MW464.95 g/mol
LogP3.68
Rot. Bonds12

About N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane

N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane (PubChem CID 158491492) has the molecular formula C16H52N2O5Si4 and a molecular weight of 464.95 g/mol. Its IUPAC name is N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane.

Molecular Properties

Compound NameN'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane
PubChem CID158491492
Molecular FormulaC16H52N2O5Si4
Molecular Weight464.95 g/mol
Exact Mass464.30
IUPAC NameN'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane
SMILESC.C.C.C.C[Si](C)(O)O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O
InChIInChI=1S/C12H36N2O5Si4.4CH4/c1-20(2,15)17-22(5,6)19-23(7,18-21(3,4)16)12-8-10-14-11-9-13;;;;/h14-16H,8-13H2,1-7H3;4*1H4
InChIKeyHITCIAKUEBPGJX-UHFFFAOYSA-N
XLogP3.68
TPSA106.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[[methoxy(dimethyl)silyl]oxy-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine
CID 156629335
CID 59904297
CID 59904297
N'-[3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]ethane-1,2-diamine
CID 59096415
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
CID 158310948
CID 158310948
potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
CID 134692490
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N'-[3-(hydroxy-trimethylsilyloxy-trimethylsilylperoxysilyl)propyl]ethane-1,2-diamine
CID 167605652
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
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
6-[[3-(2-aminoethylamino)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]-N,N-dipropylhexanamide
CID 22957542

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane?
The IUPAC name of N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane (CID 158491492) is N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane.
What is the SMILES notation for N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane?
The canonical SMILES for N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane is C.C.C.C.C[Si](C)(O)O[Si](C)(C)O[Si](C)(CCCNCCN)O[Si](C)(C)O.
What is the InChIKey of N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane?
The InChIKey is HITCIAKUEBPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36N2O5Si4.4CH4/c1-20(2,15)17-22(5,6)19-23(7,18-21(3,4)16)12-8-10-14-11-9-13;;;;/h14-16H,8-13H2,1-7H3;4*1H4.
What are the key properties of N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane?
N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane has a molecular weight of 464.95 g/mol, XLogP of 3.68, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane is sourced from PubChem (CID 158491492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).