4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine

C13H22N2S — CID 62040434

IUPAC4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCc1csc(C2(N)CCC(CC)CC2)n1
InChIInChI=1S/C13H22N2S/c1-3-10-5-7-13(14,8-6-10)12-15-11(4-2)9-16-12/h9-10H,3-8,14H2,1-2H3
InChIKeyUNHCJXRAPOIHOQ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.46
Rot. Bonds3

About 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine

4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 62040434) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID62040434
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCc1csc(C2(N)CCC(CC)CC2)n1
InChIInChI=1S/C13H22N2S/c1-3-10-5-7-13(14,8-6-10)12-15-11(4-2)9-16-12/h9-10H,3-8,14H2,1-2H3
InChIKeyUNHCJXRAPOIHOQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 62040434) is 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine is CCc1csc(C2(N)CCC(CC)CC2)n1.
What is the InChIKey of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is UNHCJXRAPOIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-10-5-7-13(14,8-6-10)12-15-11(4-2)9-16-12/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 62040434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).