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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Related Compounds

1-(2,2'-Bithiophen-5-yl)methanamine
CID 2776424
Di(thiophen-2-yl)methanamine
CID 22506771
5-Aminomethyl-2,2':5',2''-terthiophene
CID 9838514
Thiambutene
CID 57158500
(5-Thiophen-2-ylthiophen-2-yl)methylazanium
CID 6932073
[5-[5-(Aminomethyl)thiophen-2-yl]thiophen-2-yl]methanamine;hydrochloride
CID 392004
[5-[5-(Aminomethyl)-2-thienyl]-2-thienyl]methanamine
CID 392005
Methyl(1-{thieno[3,2-b]thiophen-2-yl}propan-2-yl)amine hydrochloride
CID 155978014
2,2'-Bithienyl-methylamine
CID 53446913
1,2-Di(2-thienyl)-1,2-ethanediamine
CID 130155779
[5-[5-[5-(Aminomethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanamine
CID 9796564
(4-Fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733448

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).