2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline

C10H14N2 — CID 79006650

IUPAC2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1ccc2c(c1)NC(C)CN2
InChIInChI=1S/C10H14N2/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11-12H,6H2,1-2H3
InChIKeyKHKAGLDMSLYGLA-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.22
Rot. Bonds

About 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline

2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 79006650) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID79006650
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1ccc2c(c1)NC(C)CN2
InChIInChI=1S/C10H14N2/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11-12H,6H2,1-2H3
InChIKeyKHKAGLDMSLYGLA-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline (CID 79006650) is 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline is Cc1ccc2c(c1)NC(C)CN2.
What is the InChIKey of 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is KHKAGLDMSLYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11-12H,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline?
2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 162.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 79006650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).