1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine

C12H18BrNS — CID 79991112

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CCCC1
InChIInChI=1S/C12H18BrNS/c1-8-7-10(15-12(8)13)11(14-2)9-5-3-4-6-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyJAKAPDVTTIIJBJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.27
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine

1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine (PubChem CID 79991112) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
PubChem CID79991112
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)C1CCCC1
InChIInChI=1S/C12H18BrNS/c1-8-7-10(15-12(8)13)11(14-2)9-5-3-4-6-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyJAKAPDVTTIIJBJ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114981123
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 79992393
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79991852
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
1-cyclopentyl-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 43486979
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine (CID 79991112) is 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine is CNC(c1cc(C)c(Br)s1)C1CCCC1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine?
The InChIKey is JAKAPDVTTIIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-8-7-10(15-12(8)13)11(14-2)9-5-3-4-6-9/h7,9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 79991112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).