2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane

C15H28N2 — CID 142361241

IUPAC2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane
SMILESCC.CC(C)c1cncc(CCC(C)(C)C)n1
InChIInChI=1S/C13H22N2.C2H6/c1-10(2)12-9-14-8-11(15-12)6-7-13(3,4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H3
InChIKeyDLUXHYPYTQLKAM-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane

2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane (PubChem CID 142361241) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane
PubChem CID142361241
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane
SMILESCC.CC(C)c1cncc(CCC(C)(C)C)n1
InChIInChI=1S/C13H22N2.C2H6/c1-10(2)12-9-14-8-11(15-12)6-7-13(3,4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H3
InChIKeyDLUXHYPYTQLKAM-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dimethylbutyl)-6-methylpyrazine
CID 142360846
6-(3,3-dimethylbutyl)pyrazin-2-amine
CID 59238418
2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine
CID 166909896
5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane
CID 142361365
2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine
CID 161386893
2-(2-fluoropropan-2-yl)-6-propan-2-ylpyrazine
CID 170175300
N,N-dimethyl-6-[1-(6-propan-2-ylpyrazin-2-yl)propan-2-yl]pyrazin-2-amine
CID 167090245
2-pentan-2-yl-6-propan-2-ylpyrazine
CID 137452291
6-(5,5-dimethylhexyl)pyrazine-2-carboxylic acid
CID 59842127
[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
CID 142361308
2-nonan-5-yl-6-pentylpyrazine
CID 518702
2-tert-butyl-6-(3,4-dimethylpentyl)pyrazine
CID 139460256

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane?
The IUPAC name of 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane (CID 142361241) is 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane?
The canonical SMILES for 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane is CC.CC(C)c1cncc(CCC(C)(C)C)n1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane?
The InChIKey is DLUXHYPYTQLKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-10(2)12-9-14-8-11(15-12)6-7-13(3,4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H3.
What are the key properties of 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane?
2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane has a molecular weight of 236.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane is sourced from PubChem (CID 142361241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).