3,3-dibutyl-2,4-dihydro-1H-quinoxaline

C16H26N2 — CID 176936563

IUPAC3,3-dibutyl-2,4-dihydro-1H-quinoxaline
SMILESCCCCC1(CCCC)CNc2ccccc2N1
InChIInChI=1S/C16H26N2/c1-3-5-11-16(12-6-4-2)13-17-14-9-7-8-10-15(14)18-16/h7-10,17-18H,3-6,11-13H2,1-2H3
InChIKeyOTIJXEGTRJHQCX-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.64
Rot. Bonds6

About 3,3-dibutyl-2,4-dihydro-1H-quinoxaline

3,3-dibutyl-2,4-dihydro-1H-quinoxaline (PubChem CID 176936563) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3,3-dibutyl-2,4-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3,3-dibutyl-2,4-dihydro-1H-quinoxaline
PubChem CID176936563
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3,3-dibutyl-2,4-dihydro-1H-quinoxaline
SMILESCCCCC1(CCCC)CNc2ccccc2N1
InChIInChI=1S/C16H26N2/c1-3-5-11-16(12-6-4-2)13-17-14-9-7-8-10-15(14)18-16/h7-10,17-18H,3-6,11-13H2,1-2H3
InChIKeyOTIJXEGTRJHQCX-UHFFFAOYSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibutyl-2,4-dihydro-1H-quinoxaline?
The IUPAC name of 3,3-dibutyl-2,4-dihydro-1H-quinoxaline (CID 176936563) is 3,3-dibutyl-2,4-dihydro-1H-quinoxaline.
What is the SMILES notation for 3,3-dibutyl-2,4-dihydro-1H-quinoxaline?
The canonical SMILES for 3,3-dibutyl-2,4-dihydro-1H-quinoxaline is CCCCC1(CCCC)CNc2ccccc2N1.
What is the InChIKey of 3,3-dibutyl-2,4-dihydro-1H-quinoxaline?
The InChIKey is OTIJXEGTRJHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-11-16(12-6-4-2)13-17-14-9-7-8-10-15(14)18-16/h7-10,17-18H,3-6,11-13H2,1-2H3.
What are the key properties of 3,3-dibutyl-2,4-dihydro-1H-quinoxaline?
3,3-dibutyl-2,4-dihydro-1H-quinoxaline has a molecular weight of 246.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibutyl-2,4-dihydro-1H-quinoxaline is sourced from PubChem (CID 176936563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).