3,6-diethyl-N-pentan-2-ylpyrazin-2-amine

C13H23N3 — CID 22278809

IUPAC3,6-diethyl-N-pentan-2-ylpyrazin-2-amine
SMILESCCCC(C)Nc1nc(CC)cnc1CC
InChIInChI=1S/C13H23N3/c1-5-8-10(4)15-13-12(7-3)14-9-11(6-2)16-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyYMDKLQPZSZMZQU-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds6

About 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine

3,6-diethyl-N-pentan-2-ylpyrazin-2-amine (PubChem CID 22278809) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-N-pentan-2-ylpyrazin-2-amine
PubChem CID22278809
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3,6-diethyl-N-pentan-2-ylpyrazin-2-amine
SMILESCCCC(C)Nc1nc(CC)cnc1CC
InChIInChI=1S/C13H23N3/c1-5-8-10(4)15-13-12(7-3)14-9-11(6-2)16-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyYMDKLQPZSZMZQU-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine (CID 22278809) is 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine is CCCC(C)Nc1nc(CC)cnc1CC.
What is the InChIKey of 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine?
The InChIKey is YMDKLQPZSZMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-10(4)15-13-12(7-3)14-9-11(6-2)16-13/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine?
3,6-diethyl-N-pentan-2-ylpyrazin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-N-pentan-2-ylpyrazin-2-amine is sourced from PubChem (CID 22278809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).