1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H24N2S — CID 55252390

IUPAC1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCC1CCCCC1C(N)Cc1nc(C)cs1
InChIInChI=1S/C14H24N2S/c1-3-11-6-4-5-7-12(11)13(15)8-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3
InChIKeyZVIZQQXQONJESW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.54
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 55252390) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID55252390
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCC1CCCCC1C(N)Cc1nc(C)cs1
InChIInChI=1S/C14H24N2S/c1-3-11-6-4-5-7-12(11)13(15)8-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3
InChIKeyZVIZQQXQONJESW-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 55252390) is 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCC1CCCCC1C(N)Cc1nc(C)cs1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZVIZQQXQONJESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-11-6-4-5-7-12(11)13(15)8-14-16-10(2)9-17-14/h9,11-13H,3-8,15H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 55252390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).