2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine

C13H21NS — CID 81417156

IUPAC2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
SMILESCCCNC1CC(c2cccs2)C1CC
InChIInChI=1S/C13H21NS/c1-3-7-14-12-9-11(10(12)4-2)13-6-5-8-15-13/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3
InChIKeyPCRWPGGVIOGUNO-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.63
Rot. Bonds5

About 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine

2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine (PubChem CID 81417156) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
PubChem CID81417156
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
SMILESCCCNC1CC(c2cccs2)C1CC
InChIInChI=1S/C13H21NS/c1-3-7-14-12-9-11(10(12)4-2)13-6-5-8-15-13/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3
InChIKeyPCRWPGGVIOGUNO-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine (CID 81417156) is 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine is CCCNC1CC(c2cccs2)C1CC.
What is the InChIKey of 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine?
The InChIKey is PCRWPGGVIOGUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-7-14-12-9-11(10(12)4-2)13-6-5-8-15-13/h5-6,8,10-12,14H,3-4,7,9H2,1-2H3.
What are the key properties of 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine?
2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine is sourced from PubChem (CID 81417156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).