1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine

C21H38BNSi2 — CID 46845724

IUPAC1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(B2C3CCCC2CCC3)C2=C([Si](C)(C)CC2)[Si]1(C)C
InChIInChI=1S/C21H38BNSi2/c1-23(2)15-19-20(22-16-9-7-10-17(22)12-8-11-16)18-13-14-24(3,4)21(18)25(19,5)6/h16-17H,7-15H2,1-6H3
InChIKeyIRXUFTQYGSYMID-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.74
Rot. Bonds3

About 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine

1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine (PubChem CID 46845724) has the molecular formula C21H38BNSi2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine
PubChem CID46845724
Molecular FormulaC21H38BNSi2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=C(B2C3CCCC2CCC3)C2=C([Si](C)(C)CC2)[Si]1(C)C
InChIInChI=1S/C21H38BNSi2/c1-23(2)15-19-20(22-16-9-7-10-17(22)12-8-11-16)18-13-14-24(3,4)21(18)25(19,5)6/h16-17H,7-15H2,1-6H3
InChIKeyIRXUFTQYGSYMID-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine (CID 46845724) is 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine is CN(C)CC1=C(B2C3CCCC2CCC3)C2=C([Si](C)(C)CC2)[Si]1(C)C.
What is the InChIKey of 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is IRXUFTQYGSYMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38BNSi2/c1-23(2)15-19-20(22-16-9-7-10-17(22)12-8-11-16)18-13-14-24(3,4)21(18)25(19,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine?
1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 371.53 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46845724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).