1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine

C12H20N2S — CID 62069492

IUPAC1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESCCc1ccc(C(C)N2CCC(N)C2)s1
InChIInChI=1S/C12H20N2S/c1-3-11-4-5-12(15-11)9(2)14-7-6-10(13)8-14/h4-5,9-10H,3,6-8,13H2,1-2H3
InChIKeyKESRDDNJLWXCRT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine

1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 62069492) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID62069492
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
SMILESCCc1ccc(C(C)N2CCC(N)C2)s1
InChIInChI=1S/C12H20N2S/c1-3-11-4-5-12(15-11)9(2)14-7-6-10(13)8-14/h4-5,9-10H,3,6-8,13H2,1-2H3
InChIKeyKESRDDNJLWXCRT-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine (CID 62069492) is 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine is CCc1ccc(C(C)N2CCC(N)C2)s1.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is KESRDDNJLWXCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-11-4-5-12(15-11)9(2)14-7-6-10(13)8-14/h4-5,9-10H,3,6-8,13H2,1-2H3.
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine?
1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 224.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 62069492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).