2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine

C11H19N3S — CID 63381312

IUPAC2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine
SMILESCCC(C)(C)NCCSc1cnccn1
InChIInChI=1S/C11H19N3S/c1-4-11(2,3)14-7-8-15-10-9-12-5-6-13-10/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyFANOCWQGKHKUBA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.35
Rot. Bonds6

About 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine

2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine (PubChem CID 63381312) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine
PubChem CID63381312
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine
SMILESCCC(C)(C)NCCSc1cnccn1
InChIInChI=1S/C11H19N3S/c1-4-11(2,3)14-7-8-15-10-9-12-5-6-13-10/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyFANOCWQGKHKUBA-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine (CID 63381312) is 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine is CCC(C)(C)NCCSc1cnccn1.
What is the InChIKey of 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
The InChIKey is FANOCWQGKHKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-11(2,3)14-7-8-15-10-9-12-5-6-13-10/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine is sourced from PubChem (CID 63381312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).