4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine

C15H30N2S — CID 136848377

IUPAC4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
SMILESCC(C)CCCC/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C15H30N2S/c1-12(2)8-6-7-10-16-14-17-13(9-11-18-14)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyTYYYGGGUSRGAOZ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.31
Rot. Bonds5

About 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine

4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine (PubChem CID 136848377) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
PubChem CID136848377
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
SMILESCC(C)CCCC/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C15H30N2S/c1-12(2)8-6-7-10-16-14-17-13(9-11-18-14)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17)
InChIKeyTYYYGGGUSRGAOZ-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine (CID 136848377) is 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine is CC(C)CCCC/N=C1/NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine?
The InChIKey is TYYYGGGUSRGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-12(2)8-6-7-10-16-14-17-13(9-11-18-14)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine has a molecular weight of 270.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).