2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine

C11H17NS — CID 81422896

IUPAC2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine
SMILESCCC1C(N)C(C)C1c1cccs1
InChIInChI=1S/C11H17NS/c1-3-8-10(7(2)11(8)12)9-5-4-6-13-9/h4-8,10-11H,3,12H2,1-2H3
InChIKeyZNJPEFLPLHQCCR-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.83
Rot. Bonds2

About 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine

2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine (PubChem CID 81422896) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine
PubChem CID81422896
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine
SMILESCCC1C(N)C(C)C1c1cccs1
InChIInChI=1S/C11H17NS/c1-3-8-10(7(2)11(8)12)9-5-4-6-13-9/h4-8,10-11H,3,12H2,1-2H3
InChIKeyZNJPEFLPLHQCCR-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine (CID 81422896) is 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine is CCC1C(N)C(C)C1c1cccs1.
What is the InChIKey of 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine?
The InChIKey is ZNJPEFLPLHQCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-8-10(7(2)11(8)12)9-5-4-6-13-9/h4-8,10-11H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine?
2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3-thiophen-2-ylcyclobutan-1-amine is sourced from PubChem (CID 81422896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).