6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline

C16H26N2 — CID 84632629

IUPAC6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC(C)C1CNc2ccc(C(C)(C)C)cc2N1C
InChIInChI=1S/C16H26N2/c1-11(2)15-10-17-13-8-7-12(16(3,4)5)9-14(13)18(15)6/h7-9,11,15,17H,10H2,1-6H3
InChIKeyDPJWPZAJUKJWPH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.87
Rot. Bonds1

About 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline

6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 84632629) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline
PubChem CID84632629
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline
SMILESCC(C)C1CNc2ccc(C(C)(C)C)cc2N1C
InChIInChI=1S/C16H26N2/c1-11(2)15-10-17-13-8-7-12(16(3,4)5)9-14(13)18(15)6/h7-9,11,15,17H,10H2,1-6H3
InChIKeyDPJWPZAJUKJWPH-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline (CID 84632629) is 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline is CC(C)C1CNc2ccc(C(C)(C)C)cc2N1C.
What is the InChIKey of 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is DPJWPZAJUKJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11(2)15-10-17-13-8-7-12(16(3,4)5)9-14(13)18(15)6/h7-9,11,15,17H,10H2,1-6H3.
What are the key properties of 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline?
6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 246.40 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-3-propan-2-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84632629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).