1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine

C11H16BrNS — CID 79596585

IUPAC1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)c1cscc1Br
InChIInChI=1S/C11H16BrNS/c1-8-4-2-3-5-11(8,13)9-6-14-7-10(9)12/h6-8H,2-5,13H2,1H3
InChIKeyYJRIJPPYHRSBRM-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.87
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine

1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine (PubChem CID 79596585) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine
PubChem CID79596585
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1(N)c1cscc1Br
InChIInChI=1S/C11H16BrNS/c1-8-4-2-3-5-11(8,13)9-6-14-7-10(9)12/h6-8H,2-5,13H2,1H3
InChIKeyYJRIJPPYHRSBRM-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-amine
CID 79596154
(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552436
1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol
CID 79596262
1-(4-bromothiophen-3-yl)-4-tert-butylcycloheptan-1-amine
CID 79596699
1-(2,5-dichlorophenyl)-2-methylcyclohexan-1-amine
CID 63408172
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
1-(4-bromophenyl)-2-methylcyclopentan-1-amine
CID 79679716
1-(3,5-dimethylphenyl)-2-methylcyclohexan-1-amine
CID 60919060
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylcyclohexan-1-amine
CID 61330080
3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
CID 116540743
1-(4-bromothiophen-3-yl)-4-tert-butylcyclohexan-1-ol
CID 79596675
3-(4-bromothiophen-3-yl)-N,3-dimethylcyclopentan-1-amine
CID 116539257

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine (CID 79596585) is 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine is CC1CCCCC1(N)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine?
The InChIKey is YJRIJPPYHRSBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-8-4-2-3-5-11(8,13)9-6-14-7-10(9)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine?
1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 79596585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).