N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine

C15H19NS2 — CID 80733814

IUPACN-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cc2sccc2s1
InChIInChI=1S/C15H19NS2/c1-2-8-16-15(11-5-3-4-6-11)14-10-13-12(18-14)7-9-17-13/h5,7,9-10,15-16H,2-4,6,8H2,1H3
InChIKeyCDJQSPXRTUAWEQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP5.11
Rot. Bonds5

About N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine

N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine (PubChem CID 80733814) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
PubChem CID80733814
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cc2sccc2s1
InChIInChI=1S/C15H19NS2/c1-2-8-16-15(11-5-3-4-6-11)14-10-13-12(18-14)7-9-17-13/h5,7,9-10,15-16H,2-4,6,8H2,1H3
InChIKeyCDJQSPXRTUAWEQ-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.46
LogP ≤ 55.11
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-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[(5-chlorothiophen-2-yl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 62276494
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
CID 62080201
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
N-[cycloocten-1-yl-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106656872
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115811372
N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105018529
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733888

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine (CID 80733814) is N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCC1)c1cc2sccc2s1.
What is the InChIKey of N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
The InChIKey is CDJQSPXRTUAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-2-8-16-15(11-5-3-4-6-11)14-10-13-12(18-14)7-9-17-13/h5,7,9-10,15-16H,2-4,6,8H2,1H3.
What are the key properties of N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine?
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 80733814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).