6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine

C13H22ClN3 — CID 79491278

IUPAC6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)N(CC(C)C)c1cncc(Cl)n1
InChIInChI=1S/C13H22ClN3/c1-5-11(6-2)17(9-10(3)4)13-8-15-7-12(14)16-13/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyUZLKJAHNGXPCNJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.78
Rot. Bonds6

About 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine

6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine (PubChem CID 79491278) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
PubChem CID79491278
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)N(CC(C)C)c1cncc(Cl)n1
InChIInChI=1S/C13H22ClN3/c1-5-11(6-2)17(9-10(3)4)13-8-15-7-12(14)16-13/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyUZLKJAHNGXPCNJ-UHFFFAOYSA-N
XLogP3.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine (CID 79491278) is 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine is CCC(CC)N(CC(C)C)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is UZLKJAHNGXPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-5-11(6-2)17(9-10(3)4)13-8-15-7-12(14)16-13/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine?
6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 79491278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).