2-(5-methylthiophen-3-yl)cyclohexan-1-amine

C11H17NS — CID 65104425

IUPAC2-(5-methylthiophen-3-yl)cyclohexan-1-amine
SMILESCc1cc(C2CCCCC2N)cs1
InChIInChI=1S/C11H17NS/c1-8-6-9(7-13-8)10-4-2-3-5-11(10)12/h6-7,10-11H,2-5,12H2,1H3
InChIKeyUEAWBJBKWCAOIN-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.04
Rot. Bonds1

About 2-(5-methylthiophen-3-yl)cyclohexan-1-amine

2-(5-methylthiophen-3-yl)cyclohexan-1-amine (PubChem CID 65104425) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-(5-methylthiophen-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-methylthiophen-3-yl)cyclohexan-1-amine
PubChem CID65104425
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-(5-methylthiophen-3-yl)cyclohexan-1-amine
SMILESCc1cc(C2CCCCC2N)cs1
InChIInChI=1S/C11H17NS/c1-8-6-9(7-13-8)10-4-2-3-5-11(10)12/h6-7,10-11H,2-5,12H2,1H3
InChIKeyUEAWBJBKWCAOIN-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-(5-methylthiophen-3-yl)cyclohexan-1-amine (CID 65104425) is 2-(5-methylthiophen-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(5-methylthiophen-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(5-methylthiophen-3-yl)cyclohexan-1-amine is Cc1cc(C2CCCCC2N)cs1.
What is the InChIKey of 2-(5-methylthiophen-3-yl)cyclohexan-1-amine?
The InChIKey is UEAWBJBKWCAOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-6-9(7-13-8)10-4-2-3-5-11(10)12/h6-7,10-11H,2-5,12H2,1H3.
What are the key properties of 2-(5-methylthiophen-3-yl)cyclohexan-1-amine?
2-(5-methylthiophen-3-yl)cyclohexan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 65104425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).