N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine

C13H17NS2 — CID 105005930

IUPACN-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
SMILESC=C(CC)CC(NC)c1cc2sccc2s1
InChIInChI=1S/C13H17NS2/c1-4-9(2)7-10(14-3)12-8-13-11(16-12)5-6-15-13/h5-6,8,10,14H,2,4,7H2,1,3H3
InChIKeyVIQOKGTUYMWYDY-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.58
Rot. Bonds5

About N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine

N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine (PubChem CID 105005930) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
PubChem CID105005930
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
SMILESC=C(CC)CC(NC)c1cc2sccc2s1
InChIInChI=1S/C13H17NS2/c1-4-9(2)7-10(14-3)12-8-13-11(16-12)5-6-15-13/h5-6,8,10,14H,2,4,7H2,1,3H3
InChIKeyVIQOKGTUYMWYDY-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115863602
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
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
2-(5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 103053200
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
N-methyl-2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034571
2-(2,3-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80744894
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine (CID 105005930) is N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine is C=C(CC)CC(NC)c1cc2sccc2s1.
What is the InChIKey of N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
The InChIKey is VIQOKGTUYMWYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-4-9(2)7-10(14-3)12-8-13-11(16-12)5-6-15-13/h5-6,8,10,14H,2,4,7H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine?
N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine is sourced from PubChem (CID 105005930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).