2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

C13H21NS — CID 115863425

IUPAC2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(CC1CCC1)c1sccc1C
InChIInChI=1S/C13H21NS/c1-3-14-12(9-11-5-4-6-11)13-10(2)7-8-15-13/h7-8,11-12,14H,3-6,9H2,1-2H3
InChIKeyRPMLXMOCIYMAPN-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.90
Rot. Bonds5

About 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115863425) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115863425
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(CC1CCC1)c1sccc1C
InChIInChI=1S/C13H21NS/c1-3-14-12(9-11-5-4-6-11)13-10(2)7-8-15-13/h7-8,11-12,14H,3-6,9H2,1-2H3
InChIKeyRPMLXMOCIYMAPN-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
2-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 105166540
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
2-(cyclopentylmethylamino)-2-(3-methylthiophen-2-yl)ethanol
CID 115907951
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (CID 115863425) is 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is CCNC(CC1CCC1)c1sccc1C.
What is the InChIKey of 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is RPMLXMOCIYMAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-14-12(9-11-5-4-6-11)13-10(2)7-8-15-13/h7-8,11-12,14H,3-6,9H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 223.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115863425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).