4-ethyl-N,3,5-trimethylthiophen-2-amine

C9H15NS — CID 123363009

IUPAC4-ethyl-N,3,5-trimethylthiophen-2-amine
SMILESCCc1c(C)sc(NC)c1C
InChIInChI=1S/C9H15NS/c1-5-8-6(2)9(10-4)11-7(8)3/h10H,5H2,1-4H3
InChIKeyYWMBWOXSFPRLPF-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.97
Rot. Bonds2

About 4-ethyl-N,3,5-trimethylthiophen-2-amine

4-ethyl-N,3,5-trimethylthiophen-2-amine (PubChem CID 123363009) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-ethyl-N,3,5-trimethylthiophen-2-amine.

Molecular Properties

Compound Name4-ethyl-N,3,5-trimethylthiophen-2-amine
PubChem CID123363009
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-ethyl-N,3,5-trimethylthiophen-2-amine
SMILESCCc1c(C)sc(NC)c1C
InChIInChI=1S/C9H15NS/c1-5-8-6(2)9(10-4)11-7(8)3/h10H,5H2,1-4H3
InChIKeyYWMBWOXSFPRLPF-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,3,5-trimethylthiophen-2-amine?
The IUPAC name of 4-ethyl-N,3,5-trimethylthiophen-2-amine (CID 123363009) is 4-ethyl-N,3,5-trimethylthiophen-2-amine.
What is the SMILES notation for 4-ethyl-N,3,5-trimethylthiophen-2-amine?
The canonical SMILES for 4-ethyl-N,3,5-trimethylthiophen-2-amine is CCc1c(C)sc(NC)c1C.
What is the InChIKey of 4-ethyl-N,3,5-trimethylthiophen-2-amine?
The InChIKey is YWMBWOXSFPRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-8-6(2)9(10-4)11-7(8)3/h10H,5H2,1-4H3.
What are the key properties of 4-ethyl-N,3,5-trimethylthiophen-2-amine?
4-ethyl-N,3,5-trimethylthiophen-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,3,5-trimethylthiophen-2-amine is sourced from PubChem (CID 123363009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).