5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine

C13H20N4 — CID 107489063

IUPAC5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
SMILESCc1ncc(NCCC2=CCNCC2)nc1C
InChIInChI=1S/C13H20N4/c1-10-11(2)17-13(9-16-10)15-8-5-12-3-6-14-7-4-12/h3,9,14H,4-8H2,1-2H3,(H,15,17)
InChIKeyPXQAHNKNSJDICV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.82
Rot. Bonds4

About 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine

5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine (PubChem CID 107489063) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
PubChem CID107489063
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine
SMILESCc1ncc(NCCC2=CCNCC2)nc1C
InChIInChI=1S/C13H20N4/c1-10-11(2)17-13(9-16-10)15-8-5-12-3-6-14-7-4-12/h3,9,14H,4-8H2,1-2H3,(H,15,17)
InChIKeyPXQAHNKNSJDICV-UHFFFAOYSA-N
XLogP1.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine (CID 107489063) is 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine is Cc1ncc(NCCC2=CCNCC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine?
The InChIKey is PXQAHNKNSJDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-11(2)17-13(9-16-10)15-8-5-12-3-6-14-7-4-12/h3,9,14H,4-8H2,1-2H3,(H,15,17).
What are the key properties of 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine?
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 107489063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).