4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H30N2S — CID 106351865

IUPAC4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1(C)CCC(NC2=NC(C(C)(C)C)CCS2)CC1
InChIInChI=1S/C16H30N2S/c1-15(2,3)13-8-11-19-14(18-13)17-12-6-9-16(4,5)10-7-12/h12-13H,6-11H2,1-5H3,(H,17,18)
InChIKeyMJRIBPGGGTZIET-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.45
Rot. Bonds1

About 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351865) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351865
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1(C)CCC(NC2=NC(C(C)(C)C)CCS2)CC1
InChIInChI=1S/C16H30N2S/c1-15(2,3)13-8-11-19-14(18-13)17-12-6-9-16(4,5)10-7-12/h12-13H,6-11H2,1-5H3,(H,17,18)
InChIKeyMJRIBPGGGTZIET-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.45
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-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351865) is 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1(C)CCC(NC2=NC(C(C)(C)C)CCS2)CC1.
What is the InChIKey of 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MJRIBPGGGTZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-15(2,3)13-8-11-19-14(18-13)17-12-6-9-16(4,5)10-7-12/h12-13H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).