1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine

C12H21N3 — CID 63202255

IUPAC1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1nc(C)cnc1C
InChIInChI=1S/C12H21N3/c1-5-11(13-6-2)7-12-10(4)14-8-9(3)15-12/h8,11,13H,5-7H2,1-4H3
InChIKeyMNMHEDWGUIUNGQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds5

About 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine

1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine (PubChem CID 63202255) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine
PubChem CID63202255
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine
SMILESCCNC(CC)Cc1nc(C)cnc1C
InChIInChI=1S/C12H21N3/c1-5-11(13-6-2)7-12-10(4)14-8-9(3)15-12/h8,11,13H,5-7H2,1-4H3
InChIKeyMNMHEDWGUIUNGQ-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine (CID 63202255) is 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine is CCNC(CC)Cc1nc(C)cnc1C.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine?
The InChIKey is MNMHEDWGUIUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11(13-6-2)7-12-10(4)14-8-9(3)15-12/h8,11,13H,5-7H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine?
1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 63202255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).