2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine

C12H19NS — CID 81415036

IUPAC2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine
SMILESCCc1ccc(C2CC(N)C2CC)s1
InChIInChI=1S/C12H19NS/c1-3-8-5-6-12(14-8)10-7-11(13)9(10)4-2/h5-6,9-11H,3-4,7,13H2,1-2H3
InChIKeyBLTWLEBHNZGDHK-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.15
Rot. Bonds3

About 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine

2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine (PubChem CID 81415036) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine
PubChem CID81415036
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine
SMILESCCc1ccc(C2CC(N)C2CC)s1
InChIInChI=1S/C12H19NS/c1-3-8-5-6-12(14-8)10-7-11(13)9(10)4-2/h5-6,9-11H,3-4,7,13H2,1-2H3
InChIKeyBLTWLEBHNZGDHK-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine (CID 81415036) is 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine is CCc1ccc(C2CC(N)C2CC)s1.
What is the InChIKey of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine?
The InChIKey is BLTWLEBHNZGDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-8-5-6-12(14-8)10-7-11(13)9(10)4-2/h5-6,9-11H,3-4,7,13H2,1-2H3.
What are the key properties of 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine?
2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-ethylthiophen-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 81415036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).