4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C10H20N2 — CID 83914466

IUPAC4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCC1CCC2C(C1)NCCN2C
InChIInChI=1S/C10H20N2/c1-8-3-4-10-9(7-8)11-5-6-12(10)2/h8-11H,3-7H2,1-2H3
InChIKeyYXOVUWJAPUKIOR-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds

About 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 83914466) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID83914466
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCC1CCC2C(C1)NCCN2C
InChIInChI=1S/C10H20N2/c1-8-3-4-10-9(7-8)11-5-6-12(10)2/h8-11H,3-7H2,1-2H3
InChIKeyYXOVUWJAPUKIOR-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline with MolForge

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Related Compounds

(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
CID 155972992
(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 129360669
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64953434
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
CID 130417846
(3aS,9aR)-1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 73440416
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807
(2S)-1,2-dimethylimidazolidine
CID 89259433
1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine
CID 82407463
(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
CID 124718938

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 83914466) is 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is CC1CCC2C(C1)NCCN2C.
What is the InChIKey of 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is YXOVUWJAPUKIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-3-4-10-9(7-8)11-5-6-12(10)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 168.28 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 83914466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).