(2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline

C13H22N2 — CID 155115245

IUPAC(2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline
SMILESC[C@H]1C=NC2=C(N1)C(C)(C)CCC2(C)C
InChIInChI=1S/C13H22N2/c1-9-8-14-10-11(15-9)13(4,5)7-6-12(10,2)3/h8-9,15H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyYZTBNMMVJXYYIR-VIFPVBQESA-N
MW206.33 g/mol
LogP3.11
Rot. Bonds

About (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline

(2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline (PubChem CID 155115245) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline.

Molecular Properties

Compound Name(2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline
PubChem CID155115245
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline
SMILESC[C@H]1C=NC2=C(N1)C(C)(C)CCC2(C)C
InChIInChI=1S/C13H22N2/c1-9-8-14-10-11(15-9)13(4,5)7-6-12(10,2)3/h8-9,15H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyYZTBNMMVJXYYIR-VIFPVBQESA-N
XLogP3.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline?
The IUPAC name of (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline (CID 155115245) is (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline.
What is the SMILES notation for (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline?
The canonical SMILES for (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline is C[C@H]1C=NC2=C(N1)C(C)(C)CCC2(C)C.
What is the InChIKey of (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline?
The InChIKey is YZTBNMMVJXYYIR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2/c1-9-8-14-10-11(15-9)13(4,5)7-6-12(10,2)3/h8-9,15H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline?
(2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline has a molecular weight of 206.33 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5,5,8,8-pentamethyl-1,2,6,7-tetrahydroquinoxaline is sourced from PubChem (CID 155115245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).