5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine

C11H22N2 — CID 129275780

IUPAC5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine
SMILESCCC1=C(C(C)C)N(C)CCN1C
InChIInChI=1S/C11H22N2/c1-6-10-11(9(2)3)13(5)8-7-12(10)4/h9H,6-8H2,1-5H3
InChIKeySMFYLMWKIGXHMF-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.14
Rot. Bonds2

About 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine

5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine (PubChem CID 129275780) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine.

Molecular Properties

Compound Name5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine
PubChem CID129275780
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine
SMILESCCC1=C(C(C)C)N(C)CCN1C
InChIInChI=1S/C11H22N2/c1-6-10-11(9(2)3)13(5)8-7-12(10)4/h9H,6-8H2,1-5H3
InChIKeySMFYLMWKIGXHMF-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine?
The IUPAC name of 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine (CID 129275780) is 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine.
What is the SMILES notation for 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine?
The canonical SMILES for 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine is CCC1=C(C(C)C)N(C)CCN1C.
What is the InChIKey of 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine?
The InChIKey is SMFYLMWKIGXHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-10-11(9(2)3)13(5)8-7-12(10)4/h9H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine?
5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine has a molecular weight of 182.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dimethyl-6-propan-2-yl-2,3-dihydropyrazine is sourced from PubChem (CID 129275780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).