2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine

C16H28N2S — CID 43779171

IUPAC2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCc1ncsc1C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H28N2S/c1-11-15(19-10-17-11)12(2)18-14-9-7-6-8-13(14)16(3,4)5/h10,12-14,18H,6-9H2,1-5H3
InChIKeyGLHYLJRZMUFRES-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.71
Rot. Bonds3

About 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 43779171) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID43779171
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCc1ncsc1C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H28N2S/c1-11-15(19-10-17-11)12(2)18-14-9-7-6-8-13(14)16(3,4)5/h10,12-14,18H,6-9H2,1-5H3
InChIKeyGLHYLJRZMUFRES-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine (CID 43779171) is 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine is Cc1ncsc1C(C)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is GLHYLJRZMUFRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11-15(19-10-17-11)12(2)18-14-9-7-6-8-13(14)16(3,4)5/h10,12-14,18H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43779171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).