tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane

C20H32N2OSi — CID 174163040

IUPACtert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2[nH]cc(CCN3CCCC3)c2c1
InChIInChI=1S/C20H32N2OSi/c1-20(2,3)24(4,5)23-17-8-9-19-18(14-17)16(15-21-19)10-13-22-11-6-7-12-22/h8-9,14-15,21H,6-7,10-13H2,1-5H3
InChIKeyFYCUNRPLUMVFCD-UHFFFAOYSA-N
MW344.58 g/mol
LogP5.19
Rot. Bonds5

About tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane

tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane (PubChem CID 174163040) has the molecular formula C20H32N2OSi and a molecular weight of 344.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane
PubChem CID174163040
Molecular FormulaC20H32N2OSi
Molecular Weight344.58 g/mol
Exact Mass344.23
IUPAC Nametert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2[nH]cc(CCN3CCCC3)c2c1
InChIInChI=1S/C20H32N2OSi/c1-20(2,3)24(4,5)23-17-8-9-19-18(14-17)16(15-21-19)10-13-22-11-6-7-12-22/h8-9,14-15,21H,6-7,10-13H2,1-5H3
InChIKeyFYCUNRPLUMVFCD-UHFFFAOYSA-N
XLogP5.19
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one
CID 24853704
[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl] propanoate
CID 169222165
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
3-[2-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]ethyl]-5-methoxy-1H-indole
CID 19438866
3-[2-[4-(difluoromethoxymethyl)azepan-1-yl]ethyl]-5-methoxy-1H-indole
CID 176862217
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-enoate
CID 140861796

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane (CID 174163040) is tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane is CC(C)(C)[Si](C)(C)Oc1ccc2[nH]cc(CCN3CCCC3)c2c1.
What is the InChIKey of tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane?
The InChIKey is FYCUNRPLUMVFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2OSi/c1-20(2,3)24(4,5)23-17-8-9-19-18(14-17)16(15-21-19)10-13-22-11-6-7-12-22/h8-9,14-15,21H,6-7,10-13H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane?
tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane has a molecular weight of 344.58 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]oxy]silane is sourced from PubChem (CID 174163040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).