cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine

C14H17NS2 — CID 80733888

IUPACcyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine
SMILESNC(C1=CCCCCC1)c1cc2sccc2s1
InChIInChI=1S/C14H17NS2/c15-14(10-5-3-1-2-4-6-10)13-9-12-11(17-13)7-8-16-12/h5,7-9,14H,1-4,6,15H2
InChIKeyRUGAZCTTWYSFPZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.85
Rot. Bonds2

About cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine

cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine (PubChem CID 80733888) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine
PubChem CID80733888
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC Namecyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine
SMILESNC(C1=CCCCCC1)c1cc2sccc2s1
InChIInChI=1S/C14H17NS2/c15-14(10-5-3-1-2-4-6-10)13-9-12-11(17-13)7-8-16-12/h5,7-9,14H,1-4,6,15H2
InChIKeyRUGAZCTTWYSFPZ-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The IUPAC name of cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine (CID 80733888) is cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine.
What is the SMILES notation for cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The canonical SMILES for cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine is NC(C1=CCCCCC1)c1cc2sccc2s1.
What is the InChIKey of cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The InChIKey is RUGAZCTTWYSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c15-14(10-5-3-1-2-4-6-10)13-9-12-11(17-13)7-8-16-12/h5,7-9,14H,1-4,6,15H2.
What are the key properties of cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine is sourced from PubChem (CID 80733888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).