2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine

C11H20N4 — CID 83064614

IUPAC2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1nccnc1C
InChIInChI=1S/C11H20N4/c1-4-11(5-2,8-12)15-10-9(3)13-6-7-14-10/h6-7H,4-5,8,12H2,1-3H3,(H,14,15)
InChIKeyDAROZTJDJBIVCC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.71
Rot. Bonds5

About 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine

2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine (PubChem CID 83064614) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine
PubChem CID83064614
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)Nc1nccnc1C
InChIInChI=1S/C11H20N4/c1-4-11(5-2,8-12)15-10-9(3)13-6-7-14-10/h6-7H,4-5,8,12H2,1-3H3,(H,14,15)
InChIKeyDAROZTJDJBIVCC-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine (CID 83064614) is 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine is CCC(CC)(CN)Nc1nccnc1C.
What is the InChIKey of 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine?
The InChIKey is DAROZTJDJBIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-11(5-2,8-12)15-10-9(3)13-6-7-14-10/h6-7H,4-5,8,12H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine?
2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(3-methylpyrazin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 83064614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).