1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine

C15H25NS — CID 63861480

IUPAC1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCCC1CCCCC1C(Cc1cccs1)NC
InChIInChI=1S/C15H25NS/c1-3-12-7-4-5-9-14(12)15(16-2)11-13-8-6-10-17-13/h6,8,10,12,14-16H,3-5,7,9,11H2,1-2H3
InChIKeyVUYBYZJIKYCVDH-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.09
Rot. Bonds5

About 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine

1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 63861480) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID63861480
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCCC1CCCCC1C(Cc1cccs1)NC
InChIInChI=1S/C15H25NS/c1-3-12-7-4-5-9-14(12)15(16-2)11-13-8-6-10-17-13/h6,8,10,12,14-16H,3-5,7,9,11H2,1-2H3
InChIKeyVUYBYZJIKYCVDH-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine (CID 63861480) is 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine is CCC1CCCCC1C(Cc1cccs1)NC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is VUYBYZJIKYCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-12-7-4-5-9-14(12)15(16-2)11-13-8-6-10-17-13/h6,8,10,12,14-16H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine?
1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63861480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).