4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine

C15H26N2S — CID 61331860

IUPAC4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C(C)(C)C)CC2)sc1C
InChIInChI=1S/C15H26N2S/c1-10-11(2)18-13(17-10)15(16)8-6-12(7-9-15)14(3,4)5/h12H,6-9,16H2,1-5H3
InChIKeyNQFWNKZLSDNSIR-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.15
Rot. Bonds1

About 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine

4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 61331860) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID61331860
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C(C)(C)C)CC2)sc1C
InChIInChI=1S/C15H26N2S/c1-10-11(2)18-13(17-10)15(16)8-6-12(7-9-15)14(3,4)5/h12H,6-9,16H2,1-5H3
InChIKeyNQFWNKZLSDNSIR-UHFFFAOYSA-N
XLogP4.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 61331860) is 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine is Cc1nc(C2(N)CCC(C(C)(C)C)CC2)sc1C.
What is the InChIKey of 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is NQFWNKZLSDNSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10-11(2)18-13(17-10)15(16)8-6-12(7-9-15)14(3,4)5/h12H,6-9,16H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61331860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).