triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane

C19H30N2Si — CID 168762229

IUPACtriethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane
SMILESCC[Si](CC)(CC)c1ccc2c3c([nH]c2c1)CCN(C)CC3
InChIInChI=1S/C19H30N2Si/c1-5-22(6-2,7-3)15-8-9-16-17-10-12-21(4)13-11-18(17)20-19(16)14-15/h8-9,14,20H,5-7,10-13H2,1-4H3
InChIKeyJVBRVDCSUWFGDA-UHFFFAOYSA-N
MW314.55 g/mol
LogP3.91
Rot. Bonds4

About triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane

triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane (PubChem CID 168762229) has the molecular formula C19H30N2Si and a molecular weight of 314.55 g/mol. Its IUPAC name is triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane.

Molecular Properties

Compound Nametriethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane
PubChem CID168762229
Molecular FormulaC19H30N2Si
Molecular Weight314.55 g/mol
Exact Mass314.22
IUPAC Nametriethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane
SMILESCC[Si](CC)(CC)c1ccc2c3c([nH]c2c1)CCN(C)CC3
InChIInChI=1S/C19H30N2Si/c1-5-22(6-2,7-3)15-8-9-16-17-10-12-21(4)13-11-18(17)20-19(16)14-15/h8-9,14,20H,5-7,10-13H2,1-4H3
InChIKeyJVBRVDCSUWFGDA-UHFFFAOYSA-N
XLogP3.91
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane?
The IUPAC name of triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane (CID 168762229) is triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane.
What is the SMILES notation for triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane?
The canonical SMILES for triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane is CC[Si](CC)(CC)c1ccc2c3c([nH]c2c1)CCN(C)CC3.
What is the InChIKey of triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane?
The InChIKey is JVBRVDCSUWFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2Si/c1-5-22(6-2,7-3)15-8-9-16-17-10-12-21(4)13-11-18(17)20-19(16)14-15/h8-9,14,20H,5-7,10-13H2,1-4H3.
What are the key properties of triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane?
triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane has a molecular weight of 314.55 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-8-yl)silane is sourced from PubChem (CID 168762229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).