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

C12H24N2 — CID 66800483

IUPAC3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCCC1(CC)CNC2CCCCC2N1
InChIInChI=1S/C12H24N2/c1-3-12(4-2)9-13-10-7-5-6-8-11(10)14-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyLUYINHXADYQQNX-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.05
Rot. Bonds2

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

3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 66800483) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID66800483
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCCC1(CC)CNC2CCCCC2N1
InChIInChI=1S/C12H24N2/c1-3-12(4-2)9-13-10-7-5-6-8-11(10)14-12/h10-11,13-14H,3-9H2,1-2H3
InChIKeyLUYINHXADYQQNX-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 66800483) is 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is CCC1(CC)CNC2CCCCC2N1.
What is the InChIKey of 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is LUYINHXADYQQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-12(4-2)9-13-10-7-5-6-8-11(10)14-12/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 196.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 66800483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).