3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine

C13H20BrNS — CID 107355524

IUPAC3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(Br)cs2)C1CC
InChIInChI=1S/C13H20BrNS/c1-3-5-15-12-7-11(10(12)4-2)13-6-9(14)8-16-13/h6,8,10-12,15H,3-5,7H2,1-2H3
InChIKeyOGTMEIHPJXPXBO-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.39
Rot. Bonds5

About 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine

3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine (PubChem CID 107355524) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine
PubChem CID107355524
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2cc(Br)cs2)C1CC
InChIInChI=1S/C13H20BrNS/c1-3-5-15-12-7-11(10(12)4-2)13-6-9(14)8-16-13/h6,8,10-12,15H,3-5,7H2,1-2H3
InChIKeyOGTMEIHPJXPXBO-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromothiophen-2-yl)-2-ethyl-N-methylcyclobutan-1-amine
CID 107355522
2-ethyl-N-propyl-3-thiophen-2-ylcyclobutan-1-amine
CID 81417156
3-(4-bromothiophen-2-yl)-N-ethyl-2-methylcyclobutan-1-amine
CID 107355526
3-(5-bromo-2-fluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 82972681
3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 81417778
3-(4-bromothiophen-2-yl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 107355533
2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
CID 81418199
2-ethyl-N-propyl-3-pyridin-2-ylcyclobutan-1-amine
CID 81417467
2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713937
3-(5-bromothiophen-2-yl)-2-methyl-N-propylcyclobutan-1-amine
CID 81418012
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 63403346
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine (CID 107355524) is 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2cc(Br)cs2)C1CC.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine?
The InChIKey is OGTMEIHPJXPXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-5-15-12-7-11(10(12)4-2)13-6-9(14)8-16-13/h6,8,10-12,15H,3-5,7H2,1-2H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine?
3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-2-ethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107355524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).