2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine

C13H17NS2 — CID 115863602

IUPAC2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(CC1CCC1)c1cc2sccc2s1
InChIInChI=1S/C13H17NS2/c1-14-10(7-9-3-2-4-9)12-8-13-11(16-12)5-6-15-13/h5-6,8-10,14H,2-4,7H2,1H3
InChIKeyCHEQZEZGRSSTTR-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.41
Rot. Bonds4

About 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine

2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 115863602) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID115863602
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCNC(CC1CCC1)c1cc2sccc2s1
InChIInChI=1S/C13H17NS2/c1-14-10(7-9-3-2-4-9)12-8-13-11(16-12)5-6-15-13/h5-6,8-10,14H,2-4,7H2,1H3
InChIKeyCHEQZEZGRSSTTR-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115847440
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 105005930
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 115849469
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 115863602) is 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is CNC(CC1CCC1)c1cc2sccc2s1.
What is the InChIKey of 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is CHEQZEZGRSSTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-14-10(7-9-3-2-4-9)12-8-13-11(16-12)5-6-15-13/h5-6,8-10,14H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 251.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 115863602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).