1,2,3,4,5,5-hexamethylazaborole

C9H18BN — CID 70385244

IUPAC1,2,3,4,5,5-hexamethylazaborole
SMILESCB1C(C)=C(C)C(C)(C)N1C
InChIInChI=1S/C9H18BN/c1-7-8(2)10(5)11(6)9(7,3)4/h1-6H3
InChIKeyFNIILXSDUXRHHV-UHFFFAOYSA-N
MW151.06 g/mol
LogP2.21
Rot. Bonds

About 1,2,3,4,5,5-hexamethylazaborole

1,2,3,4,5,5-hexamethylazaborole (PubChem CID 70385244) has the molecular formula C9H18BN and a molecular weight of 151.06 g/mol. Its IUPAC name is 1,2,3,4,5,5-hexamethylazaborole.

Molecular Properties

Compound Name1,2,3,4,5,5-hexamethylazaborole
PubChem CID70385244
Molecular FormulaC9H18BN
Molecular Weight151.06 g/mol
Exact Mass151.15
IUPAC Name1,2,3,4,5,5-hexamethylazaborole
SMILESCB1C(C)=C(C)C(C)(C)N1C
InChIInChI=1S/C9H18BN/c1-7-8(2)10(5)11(6)9(7,3)4/h1-6H3
InChIKeyFNIILXSDUXRHHV-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.06
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,3,4,5,5-hexamethylazaborole?
The IUPAC name of 1,2,3,4,5,5-hexamethylazaborole (CID 70385244) is 1,2,3,4,5,5-hexamethylazaborole.
What is the SMILES notation for 1,2,3,4,5,5-hexamethylazaborole?
The canonical SMILES for 1,2,3,4,5,5-hexamethylazaborole is CB1C(C)=C(C)C(C)(C)N1C.
What is the InChIKey of 1,2,3,4,5,5-hexamethylazaborole?
The InChIKey is FNIILXSDUXRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BN/c1-7-8(2)10(5)11(6)9(7,3)4/h1-6H3.
What are the key properties of 1,2,3,4,5,5-hexamethylazaborole?
1,2,3,4,5,5-hexamethylazaborole has a molecular weight of 151.06 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5-hexamethylazaborole is sourced from PubChem (CID 70385244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).