5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane

C16H34N2 — CID 160667679

IUPAC5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane
SMILESCC.CN1CCN(C)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C14H28N2.C2H6/c1-13(2,3)11-12(14(4,5)6)16(8)10-9-15(11)7;1-2/h9-10H2,1-8H3;1-2H3
InChIKeyRMNHEJWBLNDCMB-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.19
Rot. Bonds

About 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane

5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane (PubChem CID 160667679) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane.

Molecular Properties

Compound Name5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane
PubChem CID160667679
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane
SMILESCC.CN1CCN(C)C(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C14H28N2.C2H6/c1-13(2,3)11-12(14(4,5)6)16(8)10-9-15(11)7;1-2/h9-10H2,1-8H3;1-2H3
InChIKeyRMNHEJWBLNDCMB-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 69493814
CID 69493814
CID 90075872
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CID 129275780
CID 129275780
CID 129275845
CID 129275845
CID 146512931
CID 146512931
CID 161022209
CID 161022209
CID 168845946
CID 168845946
CID 169045163
CID 169045163
CID 170037419
CID 170037419
CID 170037448
CID 170037448
CID 170326946
CID 170326946
CID 172171237
CID 172171237

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane?
The IUPAC name of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane (CID 160667679) is 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane.
What is the SMILES notation for 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane?
The canonical SMILES for 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane is CC.CN1CCN(C)C(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane?
The InChIKey is RMNHEJWBLNDCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C2H6/c1-13(2,3)11-12(14(4,5)6)16(8)10-9-15(11)7;1-2/h9-10H2,1-8H3;1-2H3.
What are the key properties of 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane?
5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane has a molecular weight of 254.46 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,4-dimethyl-2,3-dihydropyrazine;ethane is sourced from PubChem (CID 160667679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).