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

C11H19N3S — CID 63381216

IUPAC3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine
SMILESCC(C)C(C)NCCSc1cnccn1
InChIInChI=1S/C11H19N3S/c1-9(2)10(3)13-6-7-15-11-8-12-4-5-14-11/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyJPFNPGGSWZWQRY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.20
Rot. Bonds6

About 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine

3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine (PubChem CID 63381216) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine
PubChem CID63381216
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine
SMILESCC(C)C(C)NCCSc1cnccn1
InChIInChI=1S/C11H19N3S/c1-9(2)10(3)13-6-7-15-11-8-12-4-5-14-11/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyJPFNPGGSWZWQRY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine (CID 63381216) is 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine is CC(C)C(C)NCCSc1cnccn1.
What is the InChIKey of 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
The InChIKey is JPFNPGGSWZWQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(2)10(3)13-6-7-15-11-8-12-4-5-14-11/h4-5,8-10,13H,6-7H2,1-3H3.
What are the key properties of 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine?
3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrazin-2-ylsulfanylethyl)butan-2-amine is sourced from PubChem (CID 63381216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).