aniline;3-[dimethoxy(methyl)silyl]propan-1-ol

C12H23NO3Si — CID 174790638

IUPACaniline;3-[dimethoxy(methyl)silyl]propan-1-ol
SMILESCO[Si](C)(CCCO)OC.Nc1ccccc1
InChIInChI=1S/C6H7N.C6H16O3Si/c7-6-4-2-1-3-5-6;1-8-10(3,9-2)6-4-5-7/h1-5H,7H2;7H,4-6H2,1-3H3
InChIKeyXGFZBZYOQLLMRT-UHFFFAOYSA-N
MW257.41 g/mol
LogP2.00
Rot. Bonds5

About aniline;3-[dimethoxy(methyl)silyl]propan-1-ol

aniline;3-[dimethoxy(methyl)silyl]propan-1-ol (PubChem CID 174790638) has the molecular formula C12H23NO3Si and a molecular weight of 257.41 g/mol. Its IUPAC name is aniline;3-[dimethoxy(methyl)silyl]propan-1-ol.

Molecular Properties

Compound Nameaniline;3-[dimethoxy(methyl)silyl]propan-1-ol
PubChem CID174790638
Molecular FormulaC12H23NO3Si
Molecular Weight257.41 g/mol
Exact Mass257.14
IUPAC Nameaniline;3-[dimethoxy(methyl)silyl]propan-1-ol
SMILESCO[Si](C)(CCCO)OC.Nc1ccccc1
InChIInChI=1S/C6H7N.C6H16O3Si/c7-6-4-2-1-3-5-6;1-8-10(3,9-2)6-4-5-7/h1-5H,7H2;7H,4-6H2,1-3H3
InChIKeyXGFZBZYOQLLMRT-UHFFFAOYSA-N
XLogP2.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aniline;ethanol
CID 22137766
3-[dimethoxy(methyl)silyl]propan-1-ol;1-methoxypropan-2-amine
CID 175296488
3-[dimethoxy(methyl)silyl]propan-1-ol;nitrosilane
CID 174932169
aniline;methanol
CID 140536335
3-[3-[dimethoxy(methyl)silyl]propylamino]propan-1-ol
CID 150629317
benzamide;3-[diethoxy(methyl)silyl]propan-1-ol
CID 174755991
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol
CID 174886746
aniline;pentakis(oxygen(2-));bis(vanadium)
CID 173287766
aniline;ethane;methoxyphosphane
CID 90767578
2-[3-[dimethoxy(methyl)silyl]propylamino]ethanol
CID 23089047

Frequently Asked Questions

What is the IUPAC name of aniline;3-[dimethoxy(methyl)silyl]propan-1-ol?
The IUPAC name of aniline;3-[dimethoxy(methyl)silyl]propan-1-ol (CID 174790638) is aniline;3-[dimethoxy(methyl)silyl]propan-1-ol.
What is the SMILES notation for aniline;3-[dimethoxy(methyl)silyl]propan-1-ol?
The canonical SMILES for aniline;3-[dimethoxy(methyl)silyl]propan-1-ol is CO[Si](C)(CCCO)OC.Nc1ccccc1.
What is the InChIKey of aniline;3-[dimethoxy(methyl)silyl]propan-1-ol?
The InChIKey is XGFZBZYOQLLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C6H16O3Si/c7-6-4-2-1-3-5-6;1-8-10(3,9-2)6-4-5-7/h1-5H,7H2;7H,4-6H2,1-3H3.
What are the key properties of aniline;3-[dimethoxy(methyl)silyl]propan-1-ol?
aniline;3-[dimethoxy(methyl)silyl]propan-1-ol has a molecular weight of 257.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-[dimethoxy(methyl)silyl]propan-1-ol is sourced from PubChem (CID 174790638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).