3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine

C18H33NO3Si — CID 175434469

IUPAC3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine
SMILESCCO[Si](CC)(OCC)OC(C)(CCN)CCc1ccccc1
InChIInChI=1S/C18H33NO3Si/c1-5-20-23(7-3,21-6-2)22-18(4,15-16-19)14-13-17-11-9-8-10-12-17/h8-12H,5-7,13-16,19H2,1-4H3
InChIKeyISIZVYBIFAMFOF-UHFFFAOYSA-N
MW339.55 g/mol
LogP3.78
Rot. Bonds12

About 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine

3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine (PubChem CID 175434469) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine
PubChem CID175434469
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Name3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine
SMILESCCO[Si](CC)(OCC)OC(C)(CCN)CCc1ccccc1
InChIInChI=1S/C18H33NO3Si/c1-5-20-23(7-3,21-6-2)22-18(4,15-16-19)14-13-17-11-9-8-10-12-17/h8-12H,5-7,13-16,19H2,1-4H3
InChIKeyISIZVYBIFAMFOF-UHFFFAOYSA-N
XLogP3.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine
CID 175434467
3-[3-(ethenylamino)propyl-diethoxysilyl]oxy-3-methyl-4-phenylbutan-1-amine;hydrochloride
CID 167430995
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765
triethyl-(3-methyl-5-phenylpent-1-yn-3-yl)oxysilane
CID 12851273
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
triethoxy-[3-[3-(2-phenylethyl)-2H-imidazol-1-yl]propyl]silane
CID 175604345
diphenylphosphane;triethoxy(ethyl)silane
CID 67019736
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
CID 102595123
[amino(diethoxy)silyl]methylbenzene
CID 54560418
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine?
The IUPAC name of 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine (CID 175434469) is 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine.
What is the SMILES notation for 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine?
The canonical SMILES for 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine is CCO[Si](CC)(OCC)OC(C)(CCN)CCc1ccccc1.
What is the InChIKey of 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine?
The InChIKey is ISIZVYBIFAMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-5-20-23(7-3,21-6-2)22-18(4,15-16-19)14-13-17-11-9-8-10-12-17/h8-12H,5-7,13-16,19H2,1-4H3.
What are the key properties of 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine?
3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine has a molecular weight of 339.55 g/mol, XLogP of 3.78, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(ethyl)silyl]oxy-3-methyl-5-phenylpentan-1-amine is sourced from PubChem (CID 175434469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).