2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine

C13H23N3S — CID 112665284

IUPAC2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
SMILESCSCCN(C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C13H23N3S/c1-13(2,3)15-11-7-6-8-12(14-11)16(4)9-10-17-5/h6-8H,9-10H2,1-5H3,(H,14,15)
InChIKeyZOTUJHTTWYVUPD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.09
Rot. Bonds5

About 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine

2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine (PubChem CID 112665284) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
PubChem CID112665284
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
SMILESCSCCN(C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C13H23N3S/c1-13(2,3)15-11-7-6-8-12(14-11)16(4)9-10-17-5/h6-8H,9-10H2,1-5H3,(H,14,15)
InChIKeyZOTUJHTTWYVUPD-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine (CID 112665284) is 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine is CSCCN(C)c1cccc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
The InChIKey is ZOTUJHTTWYVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,3)15-11-7-6-8-12(14-11)16(4)9-10-17-5/h6-8H,9-10H2,1-5H3,(H,14,15).
What are the key properties of 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine?
2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine has a molecular weight of 253.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 112665284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).