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

C11H19N3 — CID 22248917

IUPAC3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)cnc1C
InChIInChI=1S/C11H19N3/c1-5-10(6-2)14-11-9(4)12-7-8(3)13-11/h7,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyXYDAJMQYAMVQPT-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.69
Rot. Bonds4

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

3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22248917) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22248917
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCC(CC)Nc1nc(C)cnc1C
InChIInChI=1S/C11H19N3/c1-5-10(6-2)14-11-9(4)12-7-8(3)13-11/h7,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyXYDAJMQYAMVQPT-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine (CID 22248917) is 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine is CCC(CC)Nc1nc(C)cnc1C.
What is the InChIKey of 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is XYDAJMQYAMVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10(6-2)14-11-9(4)12-7-8(3)13-11/h7,10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine?
3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22248917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).