2-methyl-3-trihexadecoxysilylpropan-1-amine

C52H109NO3Si — CID 87404816

IUPAC2-methyl-3-trihexadecoxysilylpropan-1-amine
SMILESCCCCCCCCCCCCCCCCO[Si](CC(C)CN)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H109NO3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-54-57(51-52(4)50-53,55-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)56-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h52H,5-51,53H2,1-4H3
InChIKeyOZMMBSLIAQBLAQ-UHFFFAOYSA-N
MW824.53 g/mol
LogP18.01
Rot. Bonds51

About 2-methyl-3-trihexadecoxysilylpropan-1-amine

2-methyl-3-trihexadecoxysilylpropan-1-amine (PubChem CID 87404816) has the molecular formula C52H109NO3Si and a molecular weight of 824.53 g/mol. Its IUPAC name is 2-methyl-3-trihexadecoxysilylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-trihexadecoxysilylpropan-1-amine
PubChem CID87404816
Molecular FormulaC52H109NO3Si
Molecular Weight824.53 g/mol
Exact Mass823.82
IUPAC Name2-methyl-3-trihexadecoxysilylpropan-1-amine
SMILESCCCCCCCCCCCCCCCCO[Si](CC(C)CN)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H109NO3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-54-57(51-52(4)50-53,55-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)56-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h52H,5-51,53H2,1-4H3
InChIKeyOZMMBSLIAQBLAQ-UHFFFAOYSA-N
XLogP18.01
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds51
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.53
LogP ≤ 518.01
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'}

Analyze 2-methyl-3-trihexadecoxysilylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine
CID 87404887
3-(dodecoxy-hexadecoxy-tetradecoxysilyl)-2-methylpropane-1-thiol
CID 87098809
(15-amino-14-methylpentadecyl) tritetradecyl silicate
CID 175996343
3-trihexadecoxysilylpropan-1-amine
CID 87405617
tris(2-methylpropyl)-octoxysilane
CID 612111
6-tripentoxysilylhexan-1-amine
CID 152508476
(2-methyl-3-thiophen-2-ylpropyl)-trioctadecoxysilane
CID 141094339
3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine
CID 152765452
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
3-trihexoxysilylpropane-1-thiol
CID 88832868
4-tridodecoxysilylbutane-2-thiol
CID 22227191
2-methylnonan-1-amine
CID 21396878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-trihexadecoxysilylpropan-1-amine?
The IUPAC name of 2-methyl-3-trihexadecoxysilylpropan-1-amine (CID 87404816) is 2-methyl-3-trihexadecoxysilylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-trihexadecoxysilylpropan-1-amine?
The canonical SMILES for 2-methyl-3-trihexadecoxysilylpropan-1-amine is CCCCCCCCCCCCCCCCO[Si](CC(C)CN)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-3-trihexadecoxysilylpropan-1-amine?
The InChIKey is OZMMBSLIAQBLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H109NO3Si/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-54-57(51-52(4)50-53,55-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)56-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h52H,5-51,53H2,1-4H3.
What are the key properties of 2-methyl-3-trihexadecoxysilylpropan-1-amine?
2-methyl-3-trihexadecoxysilylpropan-1-amine has a molecular weight of 824.53 g/mol, XLogP of 18.01, 51 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-trihexadecoxysilylpropan-1-amine is sourced from PubChem (CID 87404816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).