2-(2-ethyl-3-methylbutyl)-5-methylpyrazine

C12H20N2 — CID 166998312

IUPAC2-(2-ethyl-3-methylbutyl)-5-methylpyrazine
SMILESCCC(Cc1cnc(C)cn1)C(C)C
InChIInChI=1S/C12H20N2/c1-5-11(9(2)3)6-12-8-13-10(4)7-14-12/h7-9,11H,5-6H2,1-4H3
InChIKeyRXIZEMOMMNNQDY-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine

2-(2-ethyl-3-methylbutyl)-5-methylpyrazine (PubChem CID 166998312) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(2-ethyl-3-methylbutyl)-5-methylpyrazine
PubChem CID166998312
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(2-ethyl-3-methylbutyl)-5-methylpyrazine
SMILESCCC(Cc1cnc(C)cn1)C(C)C
InChIInChI=1S/C12H20N2/c1-5-11(9(2)3)6-12-8-13-10(4)7-14-12/h7-9,11H,5-6H2,1-4H3
InChIKeyRXIZEMOMMNNQDY-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylpyrazin-2-yl)methanamine
CID 2756496
2-(iodomethyl)-5-methylpyrazine
CID 118184663
ethane;(5-methylpyrazin-2-yl)methanamine
CID 143579527
(5-methylpyrazin-2-yl)methanethiol
CID 90983468
2-butyl-5-methylpyrazine
CID 6428803
N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
CID 62846047
trimethyl-[(5-methylpyrazin-2-yl)methyl]azanium
CID 14170090
N-[(5-methylpyrazin-2-yl)methyl]hexan-2-amine
CID 62847900
2,5-dimethylpyrazine;hydrochloride
CID 160725136
2,5-dimethylpyrazine;ethane
CID 143125119
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
2,6-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]heptan-4-amine
CID 62847163

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine?
The IUPAC name of 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine (CID 166998312) is 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine.
What is the SMILES notation for 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine?
The canonical SMILES for 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine is CCC(Cc1cnc(C)cn1)C(C)C.
What is the InChIKey of 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine?
The InChIKey is RXIZEMOMMNNQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11(9(2)3)6-12-8-13-10(4)7-14-12/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine?
2-(2-ethyl-3-methylbutyl)-5-methylpyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylbutyl)-5-methylpyrazine is sourced from PubChem (CID 166998312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).