1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine

C13H21NS — CID 115673684

IUPAC1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
SMILESCCc1ccc(CNC2(CC)CCC2)s1
InChIInChI=1S/C13H21NS/c1-3-11-6-7-12(15-11)10-14-13(4-2)8-5-9-13/h6-7,14H,3-5,8-10H2,1-2H3
InChIKeyWZPPVNZEOLPNML-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.73
Rot. Bonds5

About 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine

1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine (PubChem CID 115673684) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
PubChem CID115673684
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
SMILESCCc1ccc(CNC2(CC)CCC2)s1
InChIInChI=1S/C13H21NS/c1-3-11-6-7-12(15-11)10-14-13(4-2)8-5-9-13/h6-7,14H,3-5,8-10H2,1-2H3
InChIKeyWZPPVNZEOLPNML-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094793
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 102837609
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
2,5-diethylthiophene
CID 521294
1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
N-[(5-ethylthiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106011884
1-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106005444
N-[(5-ethylthiophen-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907354
4-[[(1-ethylcyclobutyl)amino]methyl]phenol
CID 115978684

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine (CID 115673684) is 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine is CCc1ccc(CNC2(CC)CCC2)s1.
What is the InChIKey of 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is WZPPVNZEOLPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-11-6-7-12(15-11)10-14-13(4-2)8-5-9-13/h6-7,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine?
1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115673684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).