2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline

C20H30N2 — CID 70641759

IUPAC2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline
SMILESCC(c1nc2ccccc2nc1C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H30N2/c1-13(19(3,4)5)17-18(14(2)20(6,7)8)22-16-12-10-9-11-15(16)21-17/h9-14H,1-8H3
InChIKeyYIIGDALCLLLMPK-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.93
Rot. Bonds2

About 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline

2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline (PubChem CID 70641759) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline
PubChem CID70641759
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline
SMILESCC(c1nc2ccccc2nc1C(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H30N2/c1-13(19(3,4)5)17-18(14(2)20(6,7)8)22-16-12-10-9-11-15(16)21-17/h9-14H,1-8H3
InChIKeyYIIGDALCLLLMPK-UHFFFAOYSA-N
XLogP5.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline?
The IUPAC name of 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline (CID 70641759) is 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline.
What is the SMILES notation for 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline?
The canonical SMILES for 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline is CC(c1nc2ccccc2nc1C(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline?
The InChIKey is YIIGDALCLLLMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-13(19(3,4)5)17-18(14(2)20(6,7)8)22-16-12-10-9-11-15(16)21-17/h9-14H,1-8H3.
What are the key properties of 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline?
2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline has a molecular weight of 298.47 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,3-dimethylbutan-2-yl)quinoxaline is sourced from PubChem (CID 70641759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).