3-trihexadecoxysilylpropan-1-amine

C51H107NO3Si — CID 87405617

IUPAC3-trihexadecoxysilylpropan-1-amine
SMILESCCCCCCCCCCCCCCCCO[Si](CCCN)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H107NO3Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48-53-56(51-46-47-52,54-49-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-50-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-52H2,1-3H3
InChIKeySBQOHDOYXQFKNG-UHFFFAOYSA-N
MW810.51 g/mol
LogP17.77
Rot. Bonds51

About 3-trihexadecoxysilylpropan-1-amine

3-trihexadecoxysilylpropan-1-amine (PubChem CID 87405617) has the molecular formula C51H107NO3Si and a molecular weight of 810.51 g/mol. Its IUPAC name is 3-trihexadecoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-trihexadecoxysilylpropan-1-amine
PubChem CID87405617
Molecular FormulaC51H107NO3Si
Molecular Weight810.51 g/mol
Exact Mass809.80
IUPAC Name3-trihexadecoxysilylpropan-1-amine
SMILESCCCCCCCCCCCCCCCCO[Si](CCCN)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C51H107NO3Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48-53-56(51-46-47-52,54-49-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-50-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-52H2,1-3H3
InChIKeySBQOHDOYXQFKNG-UHFFFAOYSA-N
XLogP17.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds51
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.51
LogP ≤ 517.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-tripentoxysilylhexan-1-amine
CID 152508476
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
3-trihexoxysilylpropane-1-thiol
CID 88832868
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
trihexoxy(3-propoxypropyl)silane
CID 90222571
3-[tris(6-methylheptoxy)silyl]propan-1-amine
CID 141182036
4-tripropoxysilylbutan-1-amine
CID 15986561
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-[2-[tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]silyl]ethyl]silane
CID 86007695
4-tridodecoxysilylbutane-2-thiol
CID 22227191
2-methyl-3-trihexadecoxysilylpropan-1-amine
CID 87404816

Frequently Asked Questions

What is the IUPAC name of 3-trihexadecoxysilylpropan-1-amine?
The IUPAC name of 3-trihexadecoxysilylpropan-1-amine (CID 87405617) is 3-trihexadecoxysilylpropan-1-amine.
What is the SMILES notation for 3-trihexadecoxysilylpropan-1-amine?
The canonical SMILES for 3-trihexadecoxysilylpropan-1-amine is CCCCCCCCCCCCCCCCO[Si](CCCN)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC.
What is the InChIKey of 3-trihexadecoxysilylpropan-1-amine?
The InChIKey is SBQOHDOYXQFKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H107NO3Si/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48-53-56(51-46-47-52,54-49-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-50-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-52H2,1-3H3.
What are the key properties of 3-trihexadecoxysilylpropan-1-amine?
3-trihexadecoxysilylpropan-1-amine has a molecular weight of 810.51 g/mol, XLogP of 17.77, 51 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trihexadecoxysilylpropan-1-amine is sourced from PubChem (CID 87405617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).