ethane;2-methylquinoxaline

C15H26N2 — CID 90767427

IUPACethane;2-methylquinoxaline
SMILESCC.CC.CC.Cc1cnc2ccccc2n1
InChIInChI=1S/C9H8N2.3C2H6/c1-7-6-10-8-4-2-3-5-9(8)11-7;3*1-2/h2-6H,1H3;3*1-2H3
InChIKeyYUWTZYALWZTBAV-UHFFFAOYSA-N
MW234.39 g/mol
LogP5.02
Rot. Bonds

About ethane;2-methylquinoxaline

ethane;2-methylquinoxaline (PubChem CID 90767427) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is ethane;2-methylquinoxaline.

Molecular Properties

Compound Nameethane;2-methylquinoxaline
PubChem CID90767427
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Nameethane;2-methylquinoxaline
SMILESCC.CC.CC.Cc1cnc2ccccc2n1
InChIInChI=1S/C9H8N2.3C2H6/c1-7-6-10-8-4-2-3-5-9(8)11-7;3*1-2/h2-6H,1H3;3*1-2H3
InChIKeyYUWTZYALWZTBAV-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylquinoxaline?
The IUPAC name of ethane;2-methylquinoxaline (CID 90767427) is ethane;2-methylquinoxaline.
What is the SMILES notation for ethane;2-methylquinoxaline?
The canonical SMILES for ethane;2-methylquinoxaline is CC.CC.CC.Cc1cnc2ccccc2n1.
What is the InChIKey of ethane;2-methylquinoxaline?
The InChIKey is YUWTZYALWZTBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.3C2H6/c1-7-6-10-8-4-2-3-5-9(8)11-7;3*1-2/h2-6H,1H3;3*1-2H3.
What are the key properties of ethane;2-methylquinoxaline?
ethane;2-methylquinoxaline has a molecular weight of 234.39 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylquinoxaline is sourced from PubChem (CID 90767427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).