4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine

C13H19NS2 — CID 115850208

IUPAC4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc2sccc2s1
InChIInChI=1S/C13H19NS2/c1-13(2,3)6-4-9(14)11-8-12-10(16-11)5-7-15-12/h5,7-9H,4,6,14H2,1-3H3
InChIKeyZLEKNKMJNOEQRZ-UHFFFAOYSA-N
MW253.44 g/mol
LogP4.79
Rot. Bonds3

About 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine

4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine (PubChem CID 115850208) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
PubChem CID115850208
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
SMILESCC(C)(C)CCC(N)c1cc2sccc2s1
InChIInChI=1S/C13H19NS2/c1-13(2,3)6-4-9(14)11-8-12-10(16-11)5-7-15-12/h5,7-9H,4,6,14H2,1-3H3
InChIKeyZLEKNKMJNOEQRZ-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115864800
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80738455
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-amine
CID 115849809
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine (CID 115850208) is 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine is CC(C)(C)CCC(N)c1cc2sccc2s1.
What is the InChIKey of 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
The InChIKey is ZLEKNKMJNOEQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-13(2,3)6-4-9(14)11-8-12-10(16-11)5-7-15-12/h5,7-9H,4,6,14H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine has a molecular weight of 253.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine is sourced from PubChem (CID 115850208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).