[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine

C15H23NS — CID 106656355

IUPAC[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)/C2=C/CCCCCC2)s1
InChIInChI=1S/C15H23NS/c1-2-13-10-11-14(17-13)15(16)12-8-6-4-3-5-7-9-12/h8,10-11,15H,2-7,9,16H2,1H3/b12-8+
InChIKeyOJJOKCAXMLDLRN-XYOKQWHBSA-N
MW249.42 g/mol
LogP4.59
Rot. Bonds3

About [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine

[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine (PubChem CID 106656355) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
PubChem CID106656355
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)/C2=C/CCCCCC2)s1
InChIInChI=1S/C15H23NS/c1-2-13-10-11-14(17-13)15(16)12-8-6-4-3-5-7-9-12/h8,10-11,15H,2-7,9,16H2,1H3/b12-8+
InChIKeyOJJOKCAXMLDLRN-XYOKQWHBSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-pyran-5-yl-(5-ethylthiophen-2-yl)methanamine
CID 105033479
[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
CID 106656353
cyclohexen-1-yl(thiophen-2-yl)methanamine
CID 62078485
cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733888
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
(5-ethylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990648
(4-bromothiophen-2-yl)-(cycloocten-1-yl)methanamine
CID 106653050
cyclohexen-1-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 106657215
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine (CID 106656355) is [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)/C2=C/CCCCCC2)s1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is OJJOKCAXMLDLRN-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-13-10-11-14(17-13)15(16)12-8-6-4-3-5-7-9-12/h8,10-11,15H,2-7,9,16H2,1H3/b12-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine?
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 249.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 106656355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).