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

C16H25NS2 — CID 115835455

IUPACN-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cc2sccc2s1
InChIInChI=1S/C16H25NS2/c1-3-4-5-6-7-8-9-13(17-2)15-12-16-14(19-15)10-11-18-16/h10-13,17H,3-9H2,1-2H3
InChIKeyPQCHZBYKKPPFAY-UHFFFAOYSA-N
MW295.52 g/mol
LogP5.97
Rot. Bonds9

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

N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine (PubChem CID 115835455) has the molecular formula C16H25NS2 and a molecular weight of 295.52 g/mol. Its IUPAC name is N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
PubChem CID115835455
Molecular FormulaC16H25NS2
Molecular Weight295.52 g/mol
Exact Mass295.14
IUPAC NameN-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cc2sccc2s1
InChIInChI=1S/C16H25NS2/c1-3-4-5-6-7-8-9-13(17-2)15-12-16-14(19-15)10-11-18-16/h10-13,17H,3-9H2,1-2H3
InChIKeyPQCHZBYKKPPFAY-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.52
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
N-methyl-4-phenyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 115849469
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
N-methyl-3-methylidene-1-thieno[3,2-b]thiophen-5-ylpentan-1-amine
CID 105005930
1-(4,5-dibromothiophen-2-yl)-N-methylundecan-1-amine
CID 115845955
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine?
The IUPAC name of N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine (CID 115835455) is N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine.
What is the SMILES notation for N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine?
The canonical SMILES for N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine is CCCCCCCCC(NC)c1cc2sccc2s1.
What is the InChIKey of N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine?
The InChIKey is PQCHZBYKKPPFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS2/c1-3-4-5-6-7-8-9-13(17-2)15-12-16-14(19-15)10-11-18-16/h10-13,17H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine?
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine is sourced from PubChem (CID 115835455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).