(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

C9H18N2 — CID 129360669

IUPAC(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESC[C@@H]1CC[C@H]2NCCN[C@H]2C1
InChIInChI=1S/C9H18N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyGMSZNXUWXJEGNT-HLTSFMKQSA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds

About (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (PubChem CID 129360669) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.

Molecular Properties

Compound Name(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
PubChem CID129360669
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESC[C@@H]1CC[C@H]2NCCN[C@H]2C1
InChIInChI=1S/C9H18N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyGMSZNXUWXJEGNT-HLTSFMKQSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline with MolForge

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Related Compounds

5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 155858923
(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 92759205
4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 83914466
2,5-diazabicyclo[4.1.0]heptane;hydrochloride
CID 166597473
7-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 43498454
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl)methanol
CID 83915124
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
(4R)-2,4-dimethylpiperidine
CID 144551274

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The IUPAC name of (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (CID 129360669) is (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.
What is the SMILES notation for (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The canonical SMILES for (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is C[C@@H]1CC[C@H]2NCCN[C@H]2C1.
What is the InChIKey of (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The InChIKey is GMSZNXUWXJEGNT-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h7-11H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline has a molecular weight of 154.26 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is sourced from PubChem (CID 129360669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).