1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine

C17H30N2S — CID 63405772

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)(C)C1
InChIInChI=1S/C17H30N2S/c1-12-8-16(5,6)11-17(9-12,18-7)14-19-13(10-20-14)15(2,3)4/h10,12,18H,8-9,11H2,1-7H3
InChIKeyOJLJOKXMFYVBCI-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.70
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine (PubChem CID 63405772) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
PubChem CID63405772
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)(C)C1
InChIInChI=1S/C17H30N2S/c1-12-8-16(5,6)11-17(9-12,18-7)14-19-13(10-20-14)15(2,3)4/h10,12,18H,8-9,11H2,1-7H3
InChIKeyOJLJOKXMFYVBCI-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine (CID 63405772) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine is CNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine?
The InChIKey is OJLJOKXMFYVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-12-8-16(5,6)11-17(9-12,18-7)14-19-13(10-20-14)15(2,3)4/h10,12,18H,8-9,11H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 63405772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).