1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine

C17H23NS — CID 61206850

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cc2c(s1)CCC2)C1CC2C=CC1C2
InChIInChI=1S/C17H23NS/c1-11(16-8-12-5-6-13(16)7-12)18-10-15-9-14-3-2-4-17(14)19-15/h5-6,9,11-13,16,18H,2-4,7-8,10H2,1H3
InChIKeyAKKNJVNXLXYEOI-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine (PubChem CID 61206850) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
PubChem CID61206850
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cc2c(s1)CCC2)C1CC2C=CC1C2
InChIInChI=1S/C17H23NS/c1-11(16-8-12-5-6-13(16)7-12)18-10-15-9-14-3-2-4-17(14)19-15/h5-6,9,11-13,16,18H,2-4,7-8,10H2,1H3
InChIKeyAKKNJVNXLXYEOI-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.93
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

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79535684
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61207988
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)undecan-6-amine
CID 63452755
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63452540
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 61208351
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63452712
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 63452368
2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 116677059
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-phenylpropan-1-amine
CID 61207209

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine (CID 61206850) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine is CC(NCc1cc2c(s1)CCC2)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine?
The InChIKey is AKKNJVNXLXYEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-11(16-8-12-5-6-13(16)7-12)18-10-15-9-14-3-2-4-17(14)19-15/h5-6,9,11-13,16,18H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine has a molecular weight of 273.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 61206850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).