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

C16H28N2S — CID 61330213

IUPAC4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-6-17-16(14-18-12(2)11-19-14)9-7-13(8-10-16)15(3,4)5/h11,13,17H,6-10H2,1-5H3
InChIKeyZQIRZVPRBCIMRG-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.49
Rot. Bonds3

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

4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 61330213) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID61330213
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)cs2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-6-17-16(14-18-12(2)11-19-14)9-7-13(8-10-16)15(3,4)5/h11,13,17H,6-10H2,1-5H3
InChIKeyZQIRZVPRBCIMRG-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 61330213) is 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine is CCNC1(c2nc(C)cs2)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is ZQIRZVPRBCIMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-17-16(14-18-12(2)11-19-14)9-7-13(8-10-16)15(3,4)5/h11,13,17H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61330213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).