1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine

C15H26N2S — CID 61338835

IUPAC1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(C(C)CC)cs2)CC1
InChIInChI=1S/C15H26N2S/c1-4-11(3)13-10-18-14(17-13)15(16)8-6-12(5-2)7-9-15/h10-12H,4-9,16H2,1-3H3
InChIKeyZBHAFVXTKQTKNE-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.41
Rot. Bonds4

About 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine

1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine (PubChem CID 61338835) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
PubChem CID61338835
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(C(C)CC)cs2)CC1
InChIInChI=1S/C15H26N2S/c1-4-11(3)13-10-18-14(17-13)15(16)8-6-12(5-2)7-9-15/h10-12H,4-9,16H2,1-3H3
InChIKeyZBHAFVXTKQTKNE-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine (CID 61338835) is 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nc(C(C)CC)cs2)CC1.
What is the InChIKey of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is ZBHAFVXTKQTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-11(3)13-10-18-14(17-13)15(16)8-6-12(5-2)7-9-15/h10-12H,4-9,16H2,1-3H3.
What are the key properties of 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine?
1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yl-1,3-thiazol-2-yl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 61338835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).