2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine

C13H18N2S2 — CID 10611835

IUPAC2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine
SMILESCCC(C)C(c1sccc1N)c1sccc1N
InChIInChI=1S/C13H18N2S2/c1-3-8(2)11(12-9(14)4-6-16-12)13-10(15)5-7-17-13/h4-8,11H,3,14-15H2,1-2H3
InChIKeyLZMOHUWKZQXFSC-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.15
Rot. Bonds4

About 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine

2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine (PubChem CID 10611835) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine
PubChem CID10611835
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine
SMILESCCC(C)C(c1sccc1N)c1sccc1N
InChIInChI=1S/C13H18N2S2/c1-3-8(2)11(12-9(14)4-6-16-12)13-10(15)5-7-17-13/h4-8,11H,3,14-15H2,1-2H3
InChIKeyLZMOHUWKZQXFSC-UHFFFAOYSA-N
XLogP4.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine?
The IUPAC name of 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine (CID 10611835) is 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine.
What is the SMILES notation for 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine?
The canonical SMILES for 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine is CCC(C)C(c1sccc1N)c1sccc1N.
What is the InChIKey of 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine?
The InChIKey is LZMOHUWKZQXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-8(2)11(12-9(14)4-6-16-12)13-10(15)5-7-17-13/h4-8,11H,3,14-15H2,1-2H3.
What are the key properties of 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine?
2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine has a molecular weight of 266.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminothiophen-2-yl)-2-methylbutyl]thiophen-3-amine is sourced from PubChem (CID 10611835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).