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

C13H23N3 — CID 22278756

IUPAC3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1cnc(CC)c(NC(CC)CC)n1
InChIInChI=1S/C13H23N3/c1-5-10(6-2)15-13-12(8-4)14-9-11(7-3)16-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyREYCUWZDSAQLBZ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds6

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

3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22278756) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22278756
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1cnc(CC)c(NC(CC)CC)n1
InChIInChI=1S/C13H23N3/c1-5-10(6-2)15-13-12(8-4)14-9-11(7-3)16-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyREYCUWZDSAQLBZ-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-3-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine (CID 22278756) is 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine is CCc1cnc(CC)c(NC(CC)CC)n1.
What is the InChIKey of 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is REYCUWZDSAQLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-10(6-2)15-13-12(8-4)14-9-11(7-3)16-13/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3,6-diethyl-N-pentan-3-ylpyrazin-2-amine?
3,6-diethyl-N-pentan-3-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-3-ylpyrazin-2-amine is sourced from PubChem (CID 22278756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).