1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine

C13H24BN — CID 57250393

IUPAC1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine
SMILESCCC1=C(C)N(CC)C(C)=C(CC)B1C
InChIInChI=1S/C13H24BN/c1-7-12-10(4)15(9-3)11(5)13(8-2)14(12)6/h7-9H2,1-6H3
InChIKeyJZSBDWQMEOLZNF-UHFFFAOYSA-N
MW205.15 g/mol
LogP3.89
Rot. Bonds3

About 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine

1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine (PubChem CID 57250393) has the molecular formula C13H24BN and a molecular weight of 205.15 g/mol. Its IUPAC name is 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine.

Molecular Properties

Compound Name1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine
PubChem CID57250393
Molecular FormulaC13H24BN
Molecular Weight205.15 g/mol
Exact Mass205.20
IUPAC Name1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine
SMILESCCC1=C(C)N(CC)C(C)=C(CC)B1C
InChIInChI=1S/C13H24BN/c1-7-12-10(4)15(9-3)11(5)13(8-2)14(12)6/h7-9H2,1-6H3
InChIKeyJZSBDWQMEOLZNF-UHFFFAOYSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 53.89
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 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine?
The IUPAC name of 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine (CID 57250393) is 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine.
What is the SMILES notation for 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine?
The canonical SMILES for 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine is CCC1=C(C)N(CC)C(C)=C(CC)B1C.
What is the InChIKey of 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine?
The InChIKey is JZSBDWQMEOLZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BN/c1-7-12-10(4)15(9-3)11(5)13(8-2)14(12)6/h7-9H2,1-6H3.
What are the key properties of 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine?
1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine has a molecular weight of 205.15 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-2,4,6-trimethyl-1,4-azaborinine is sourced from PubChem (CID 57250393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).