N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine

C13H21NS — CID 65105057

IUPACN-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(c2csc(C)c2)C1
InChIInChI=1S/C13H21NS/c1-3-14-13-6-4-5-11(8-13)12-7-10(2)15-9-12/h7,9,11,13-14H,3-6,8H2,1-2H3
InChIKeyLRFNNXOXDDIVFZ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.69
Rot. Bonds3

About N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine

N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine (PubChem CID 65105057) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine
PubChem CID65105057
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(c2csc(C)c2)C1
InChIInChI=1S/C13H21NS/c1-3-14-13-6-4-5-11(8-13)12-7-10(2)15-9-12/h7,9,11,13-14H,3-6,8H2,1-2H3
InChIKeyLRFNNXOXDDIVFZ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine (CID 65105057) is N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine is CCNC1CCCC(c2csc(C)c2)C1.
What is the InChIKey of N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine?
The InChIKey is LRFNNXOXDDIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-14-13-6-4-5-11(8-13)12-7-10(2)15-9-12/h7,9,11,13-14H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine?
N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 65105057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).