[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane

C28H55BN2Si3 — CID 177433871

IUPAC[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane
SMILESCC1(C)CCCC(C)(C)N1/B=[Si]1\N(C23CC4CC(CC(C4)C2)C3)CCC1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C28H55BN2Si3/c1-25(2)12-11-13-26(3,4)31(25)29-32-28(33(5,6)7,34(8,9)10)14-15-30(32)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,11-21H2,1-10H3
InChIKeyXTRQVEYKCYCOQN-UHFFFAOYSA-N
MW514.83 g/mol
LogP7.31
Rot. Bonds4

About [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane

[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane (PubChem CID 177433871) has the molecular formula C28H55BN2Si3 and a molecular weight of 514.83 g/mol. Its IUPAC name is [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane
PubChem CID177433871
Molecular FormulaC28H55BN2Si3
Molecular Weight514.83 g/mol
Exact Mass514.38
IUPAC Name[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane
SMILESCC1(C)CCCC(C)(C)N1/B=[Si]1\N(C23CC4CC(CC(C4)C2)C3)CCC1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C28H55BN2Si3/c1-25(2)12-11-13-26(3,4)31(25)29-32-28(33(5,6)7,34(8,9)10)14-15-30(32)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,11-21H2,1-10H3
InChIKeyXTRQVEYKCYCOQN-UHFFFAOYSA-N
XLogP7.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.83
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane?
The IUPAC name of [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane (CID 177433871) is [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane.
What is the SMILES notation for [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane?
The canonical SMILES for [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane is CC1(C)CCCC(C)(C)N1/B=[Si]1\N(C23CC4CC(CC(C4)C2)C3)CCC1([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane?
The InChIKey is XTRQVEYKCYCOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55BN2Si3/c1-25(2)12-11-13-26(3,4)31(25)29-32-28(33(5,6)7,34(8,9)10)14-15-30(32)27-19-22-16-23(20-27)18-24(17-22)21-27/h22-24H,11-21H2,1-10H3.
What are the key properties of [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane?
[1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane has a molecular weight of 514.83 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)boranylidene-3-trimethylsilylazasilolidin-3-yl]-trimethylsilane is sourced from PubChem (CID 177433871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).