3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine

C14H35NO5SSi2 — CID 175409021

IUPAC3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine
SMILESCO[Si](C)(CCCNCCSCCC[Si](OC)(OC)OC)OC
InChIInChI=1S/C14H35NO5SSi2/c1-16-22(6,17-2)13-7-9-15-10-12-21-11-8-14-23(18-3,19-4)20-5/h15H,7-14H2,1-6H3
InChIKeyNQBYOMWVJHKTHY-UHFFFAOYSA-N
MW385.68 g/mol
LogP2.33
Rot. Bonds16

About 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine

3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine (PubChem CID 175409021) has the molecular formula C14H35NO5SSi2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine
PubChem CID175409021
Molecular FormulaC14H35NO5SSi2
Molecular Weight385.68 g/mol
Exact Mass385.18
IUPAC Name3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine
SMILESCO[Si](C)(CCCNCCSCCC[Si](OC)(OC)OC)OC
InChIInChI=1S/C14H35NO5SSi2/c1-16-22(6,17-2)13-7-9-15-10-12-21-11-8-14-23(18-3,19-4)20-5/h15H,7-14H2,1-6H3
InChIKeyNQBYOMWVJHKTHY-UHFFFAOYSA-N
XLogP2.33
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984
2-[3-[dimethoxy(methyl)silyl]propylamino]ethanol
CID 23089047
3-[3-[dimethoxy(methyl)silyl]propylamino]propan-1-ol
CID 150629317
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
dimethoxy-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]propyl]-methylsilane
CID 58816829
N-[3-[dimethoxy(methyl)silyl]propyl]-3-propan-2-yloxypropan-1-amine
CID 142737697
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine (CID 175409021) is 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine is CO[Si](C)(CCCNCCSCCC[Si](OC)(OC)OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine?
The InChIKey is NQBYOMWVJHKTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35NO5SSi2/c1-16-22(6,17-2)13-7-9-15-10-12-21-11-8-14-23(18-3,19-4)20-5/h15H,7-14H2,1-6H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine?
3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 2.33, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]-N-[2-(3-trimethoxysilylpropylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 175409021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).