2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline

C11H18N2 — CID 118890960

IUPAC2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline
SMILESCC1=NC2=C(NC1C)C(C)CCC2
InChIInChI=1S/C11H18N2/c1-7-5-4-6-10-11(7)13-9(3)8(2)12-10/h7,9,13H,4-6H2,1-3H3
InChIKeyFAHSJDYXHSUHQC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.47
Rot. Bonds

About 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline

2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline (PubChem CID 118890960) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline.

Molecular Properties

Compound Name2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline
PubChem CID118890960
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline
SMILESCC1=NC2=C(NC1C)C(C)CCC2
InChIInChI=1S/C11H18N2/c1-7-5-4-6-10-11(7)13-9(3)8(2)12-10/h7,9,13H,4-6H2,1-3H3
InChIKeyFAHSJDYXHSUHQC-UHFFFAOYSA-N
XLogP2.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline?
The IUPAC name of 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline (CID 118890960) is 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline.
What is the SMILES notation for 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline?
The canonical SMILES for 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline is CC1=NC2=C(NC1C)C(C)CCC2.
What is the InChIKey of 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline?
The InChIKey is FAHSJDYXHSUHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7-5-4-6-10-11(7)13-9(3)8(2)12-10/h7,9,13H,4-6H2,1-3H3.
What are the key properties of 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline?
2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline has a molecular weight of 178.28 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyl-1,2,5,6,7,8-hexahydroquinoxaline is sourced from PubChem (CID 118890960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).