5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane

C15H32N2 — CID 161022209

IUPAC5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane
SMILESCC.CN1CCNC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C13H26N2.C2H6/c1-12(2,3)10-11(13(4,5)6)15(7)9-8-14-10;1-2/h14H,8-9H2,1-7H3;1-2H3
InChIKeyTYNFRDMLSMSEGS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.85
Rot. Bonds

About 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane

5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane (PubChem CID 161022209) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane.

Molecular Properties

Compound Name5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane
PubChem CID161022209
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane
SMILESCC.CN1CCNC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C13H26N2.C2H6/c1-12(2,3)10-11(13(4,5)6)15(7)9-8-14-10;1-2/h14H,8-9H2,1-7H3;1-2H3
InChIKeyTYNFRDMLSMSEGS-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane?
The IUPAC name of 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane (CID 161022209) is 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane.
What is the SMILES notation for 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane?
The canonical SMILES for 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane is CC.CN1CCNC(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane?
The InChIKey is TYNFRDMLSMSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2H6/c1-12(2,3)10-11(13(4,5)6)15(7)9-8-14-10;1-2/h14H,8-9H2,1-7H3;1-2H3.
What are the key properties of 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane?
5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane has a molecular weight of 240.43 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-4-methyl-2,3-dihydro-1H-pyrazine;ethane is sourced from PubChem (CID 161022209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).