2,5-ditert-butylthiophene-3,4-diamine

C12H22N2S — CID 14963082

IUPAC2,5-ditert-butylthiophene-3,4-diamine
SMILESCC(C)(C)c1sc(C(C)(C)C)c(N)c1N
InChIInChI=1S/C12H22N2S/c1-11(2,3)9-7(13)8(14)10(15-9)12(4,5)6/h13-14H2,1-6H3
InChIKeySUZPOOWFIFVAFX-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.51
Rot. Bonds

About 2,5-ditert-butylthiophene-3,4-diamine

2,5-ditert-butylthiophene-3,4-diamine (PubChem CID 14963082) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2,5-ditert-butylthiophene-3,4-diamine.

Molecular Properties

Compound Name2,5-ditert-butylthiophene-3,4-diamine
PubChem CID14963082
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2,5-ditert-butylthiophene-3,4-diamine
SMILESCC(C)(C)c1sc(C(C)(C)C)c(N)c1N
InChIInChI=1S/C12H22N2S/c1-11(2,3)9-7(13)8(14)10(15-9)12(4,5)6/h13-14H2,1-6H3
InChIKeySUZPOOWFIFVAFX-UHFFFAOYSA-N
XLogP3.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylthiophene-3,4-diamine?
The IUPAC name of 2,5-ditert-butylthiophene-3,4-diamine (CID 14963082) is 2,5-ditert-butylthiophene-3,4-diamine.
What is the SMILES notation for 2,5-ditert-butylthiophene-3,4-diamine?
The canonical SMILES for 2,5-ditert-butylthiophene-3,4-diamine is CC(C)(C)c1sc(C(C)(C)C)c(N)c1N.
What is the InChIKey of 2,5-ditert-butylthiophene-3,4-diamine?
The InChIKey is SUZPOOWFIFVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-11(2,3)9-7(13)8(14)10(15-9)12(4,5)6/h13-14H2,1-6H3.
What are the key properties of 2,5-ditert-butylthiophene-3,4-diamine?
2,5-ditert-butylthiophene-3,4-diamine has a molecular weight of 226.39 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylthiophene-3,4-diamine is sourced from PubChem (CID 14963082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).