1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine

C15H28N2 — CID 70582406

IUPAC1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine
SMILESCC(C)CC(C)(C)N1C=CN(C(C)(C)C)C=C1
InChIInChI=1S/C15H28N2/c1-13(2)12-15(6,7)17-10-8-16(9-11-17)14(3,4)5/h8-11,13H,12H2,1-7H3
InChIKeyLKEMOECZNCVUJR-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.17
Rot. Bonds3

About 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine

1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine (PubChem CID 70582406) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine
PubChem CID70582406
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine
SMILESCC(C)CC(C)(C)N1C=CN(C(C)(C)C)C=C1
InChIInChI=1S/C15H28N2/c1-13(2)12-15(6,7)17-10-8-16(9-11-17)14(3,4)5/h8-11,13H,12H2,1-7H3
InChIKeyLKEMOECZNCVUJR-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine?
The IUPAC name of 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine (CID 70582406) is 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine.
What is the SMILES notation for 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine?
The canonical SMILES for 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine is CC(C)CC(C)(C)N1C=CN(C(C)(C)C)C=C1.
What is the InChIKey of 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine?
The InChIKey is LKEMOECZNCVUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)12-15(6,7)17-10-8-16(9-11-17)14(3,4)5/h8-11,13H,12H2,1-7H3.
What are the key properties of 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine?
1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine has a molecular weight of 236.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,4-dimethylpentan-2-yl)pyrazine is sourced from PubChem (CID 70582406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).