2-N-cyclooctylpyrazine-2,6-diamine

C12H20N4 — CID 78988887

IUPAC2-N-cyclooctylpyrazine-2,6-diamine
SMILESNc1cncc(NC2CCCCCCC2)n1
InChIInChI=1S/C12H20N4/c13-11-8-14-9-12(16-11)15-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H3,13,15,16)
InChIKeyBUKWXPBJHUDOKW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.58
Rot. Bonds2

About 2-N-cyclooctylpyrazine-2,6-diamine

2-N-cyclooctylpyrazine-2,6-diamine (PubChem CID 78988887) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-cyclooctylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclooctylpyrazine-2,6-diamine
PubChem CID78988887
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-cyclooctylpyrazine-2,6-diamine
SMILESNc1cncc(NC2CCCCCCC2)n1
InChIInChI=1S/C12H20N4/c13-11-8-14-9-12(16-11)15-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H3,13,15,16)
InChIKeyBUKWXPBJHUDOKW-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctylpyrazine-2,6-diamine?
The IUPAC name of 2-N-cyclooctylpyrazine-2,6-diamine (CID 78988887) is 2-N-cyclooctylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-cyclooctylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-cyclooctylpyrazine-2,6-diamine is Nc1cncc(NC2CCCCCCC2)n1.
What is the InChIKey of 2-N-cyclooctylpyrazine-2,6-diamine?
The InChIKey is BUKWXPBJHUDOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-11-8-14-9-12(16-11)15-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H3,13,15,16).
What are the key properties of 2-N-cyclooctylpyrazine-2,6-diamine?
2-N-cyclooctylpyrazine-2,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctylpyrazine-2,6-diamine is sourced from PubChem (CID 78988887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).