(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

C10H20N2 — CID 102313628

IUPAC(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESC[C@@H]1N[C@@H]2CCCC[C@H]2N[C@H]1C
InChIInChI=1S/C10H20N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKeySBOGBSKNJDDBGA-AXTSPUMRSA-N
MW168.28 g/mol
LogP1.27
Rot. Bonds

About (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline

(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (PubChem CID 102313628) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.

Molecular Properties

Compound Name(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
PubChem CID102313628
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
SMILESC[C@@H]1N[C@@H]2CCCC[C@H]2N[C@H]1C
InChIInChI=1S/C10H20N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1
InChIKeySBOGBSKNJDDBGA-AXTSPUMRSA-N
XLogP1.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The IUPAC name of (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline (CID 102313628) is (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline.
What is the SMILES notation for (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The canonical SMILES for (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is C[C@@H]1N[C@@H]2CCCC[C@H]2N[C@H]1C.
What is the InChIKey of (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
The InChIKey is SBOGBSKNJDDBGA-AXTSPUMRSA-N. The full InChI is InChI=1S/C10H20N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10+/m0/s1.
What are the key properties of (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline?
(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline has a molecular weight of 168.28 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline is sourced from PubChem (CID 102313628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).