1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

C13H21NOS — CID 61039498

IUPAC1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCC2CCCO2)s1
InChIInChI=1S/C13H21NOS/c1-10-5-6-13(16-10)11(2)14-8-7-12-4-3-9-15-12/h5-6,11-12,14H,3-4,7-9H2,1-2H3
InChIKeyDAKDPIWVCOCCGG-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.28
Rot. Bonds5

About 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 61039498) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID61039498
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCCC2CCCO2)s1
InChIInChI=1S/C13H21NOS/c1-10-5-6-13(16-10)11(2)14-8-7-12-4-3-9-15-12/h5-6,11-12,14H,3-4,7-9H2,1-2H3
InChIKeyDAKDPIWVCOCCGG-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 61039498) is 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is Cc1ccc(C(C)NCCC2CCCO2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is DAKDPIWVCOCCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-5-6-13(16-10)11(2)14-8-7-12-4-3-9-15-12/h5-6,11-12,14H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 61039498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).