2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline

C11H16N2 — CID 118011663

IUPAC2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1cccc2c1NC(C)C(C)N2
InChIInChI=1S/C11H16N2/c1-7-5-4-6-10-11(7)13-9(3)8(2)12-10/h4-6,8-9,12-13H,1-3H3
InChIKeyXOSYMRBFVWBQTA-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds

About 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline

2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 118011663) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID118011663
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline
SMILESCc1cccc2c1NC(C)C(C)N2
InChIInChI=1S/C11H16N2/c1-7-5-4-6-10-11(7)13-9(3)8(2)12-10/h4-6,8-9,12-13H,1-3H3
InChIKeyXOSYMRBFVWBQTA-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline (CID 118011663) is 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline is Cc1cccc2c1NC(C)C(C)N2.
What is the InChIKey of 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is XOSYMRBFVWBQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-5-4-6-10-11(7)13-9(3)8(2)12-10/h4-6,8-9,12-13H,1-3H3.
What are the key properties of 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline?
2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 176.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 118011663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).