N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine

C14H23NOS — CID 63824599

IUPACN-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCOC2CCCC2)s1
InChIInChI=1S/C14H23NOS/c1-11-7-8-14(17-11)12(2)15-9-10-16-13-5-3-4-6-13/h7-8,12-13,15H,3-6,9-10H2,1-2H3
InChIKeyJGVYBRTXGFGDAR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.67
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine

N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 63824599) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID63824599
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCOC2CCCC2)s1
InChIInChI=1S/C14H23NOS/c1-11-7-8-14(17-11)12(2)15-9-10-16-13-5-3-4-6-13/h7-8,12-13,15H,3-6,9-10H2,1-2H3
InChIKeyJGVYBRTXGFGDAR-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 61333751
N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 63824975
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
N-(2-cyclopentyloxyethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 55262215
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 43193227
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine (CID 63824599) is N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCCOC2CCCC2)s1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is JGVYBRTXGFGDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-7-8-14(17-11)12(2)15-9-10-16-13-5-3-4-6-13/h7-8,12-13,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine?
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63824599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).