(5-bromothiophen-3-yl)-cyclohexylmethanamine

C11H16BrNS — CID 105079738

IUPAC(5-bromothiophen-3-yl)-cyclohexylmethanamine
SMILESNC(c1csc(Br)c1)C1CCCCC1
InChIInChI=1S/C11H16BrNS/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h6-8,11H,1-5,13H2
InChIKeyOINKYFZUHDOUEA-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.09
Rot. Bonds2

About (5-bromothiophen-3-yl)-cyclohexylmethanamine

(5-bromothiophen-3-yl)-cyclohexylmethanamine (PubChem CID 105079738) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-cyclohexylmethanamine
PubChem CID105079738
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name(5-bromothiophen-3-yl)-cyclohexylmethanamine
SMILESNC(c1csc(Br)c1)C1CCCCC1
InChIInChI=1S/C11H16BrNS/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h6-8,11H,1-5,13H2
InChIKeyOINKYFZUHDOUEA-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
cyclohexyl(phenyl)methanamine
CID 11064121

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-cyclohexylmethanamine?
The IUPAC name of (5-bromothiophen-3-yl)-cyclohexylmethanamine (CID 105079738) is (5-bromothiophen-3-yl)-cyclohexylmethanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-cyclohexylmethanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-cyclohexylmethanamine is NC(c1csc(Br)c1)C1CCCCC1.
What is the InChIKey of (5-bromothiophen-3-yl)-cyclohexylmethanamine?
The InChIKey is OINKYFZUHDOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h6-8,11H,1-5,13H2.
What are the key properties of (5-bromothiophen-3-yl)-cyclohexylmethanamine?
(5-bromothiophen-3-yl)-cyclohexylmethanamine has a molecular weight of 274.23 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-cyclohexylmethanamine is sourced from PubChem (CID 105079738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).