3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane

C26H36N2OSi — CID 175749325

IUPAC3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCN1CCC2CCNC=C21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36N2OSi/c1-26(2,3)30(23-11-6-4-7-12-23,24-13-8-5-9-14-24)29-20-10-18-28-19-16-22-15-17-27-21-25(22)28/h4-9,11-14,21-22,27H,10,15-20H2,1-3H3
InChIKeyOPNGSONHGMFJHV-UHFFFAOYSA-N
MW420.67 g/mol
LogP4.11
Rot. Bonds7

About 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane

3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane (PubChem CID 175749325) has the molecular formula C26H36N2OSi and a molecular weight of 420.67 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane
PubChem CID175749325
Molecular FormulaC26H36N2OSi
Molecular Weight420.67 g/mol
Exact Mass420.26
IUPAC Name3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCN1CCC2CCNC=C21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36N2OSi/c1-26(2,3)30(23-11-6-4-7-12-23,24-13-8-5-9-14-24)29-20-10-18-28-19-16-22-15-17-27-21-25(22)28/h4-9,11-14,21-22,27H,10,15-20H2,1-3H3
InChIKeyOPNGSONHGMFJHV-UHFFFAOYSA-N
XLogP4.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]propoxy-tert-butyl-diphenylsilane
CID 140943972
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
CID 178089202
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane?
The IUPAC name of 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane (CID 175749325) is 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCN1CCC2CCNC=C21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane?
The InChIKey is OPNGSONHGMFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2OSi/c1-26(2,3)30(23-11-6-4-7-12-23,24-13-8-5-9-14-24)29-20-10-18-28-19-16-22-15-17-27-21-25(22)28/h4-9,11-14,21-22,27H,10,15-20H2,1-3H3.
What are the key properties of 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane?
3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane has a molecular weight of 420.67 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6-hexahydropyrrolo[2,3-c]pyridin-1-yl)propoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 175749325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).