1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine

C15H25NS — CID 107412059

IUPAC1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CCC(C)C2)s1
InChIInChI=1S/C15H25NS/c1-4-14-7-8-15(17-14)12(3)16-10-13-6-5-11(2)9-13/h7-8,11-13,16H,4-6,9-10H2,1-3H3
InChIKeyHTIRREYGUQVDEU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.40
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 107412059) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
PubChem CID107412059
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CCC(C)C2)s1
InChIInChI=1S/C15H25NS/c1-4-14-7-8-15(17-14)12(3)16-10-13-6-5-11(2)9-13/h7-8,11-13,16H,4-6,9-10H2,1-3H3
InChIKeyHTIRREYGUQVDEU-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine (CID 107412059) is 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine is CCc1ccc(C(C)NCC2CCC(C)C2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is HTIRREYGUQVDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-14-7-8-15(17-14)12(3)16-10-13-6-5-11(2)9-13/h7-8,11-13,16H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107412059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).