4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine

C16H28N2S — CID 136985064

IUPAC4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\C2C3(C)CCC(C3)C2(C)C)N1
InChIInChI=1S/C16H28N2S/c1-14(2)8-9-19-13(18-14)17-12-15(3,4)11-6-7-16(12,5)10-11/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyYBEVTMGBQAQLBJ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.06
Rot. Bonds1

About 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine

4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine (PubChem CID 136985064) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
PubChem CID136985064
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
SMILESCC1(C)CCS/C(=N\C2C3(C)CCC(C3)C2(C)C)N1
InChIInChI=1S/C16H28N2S/c1-14(2)8-9-19-13(18-14)17-12-15(3,4)11-6-7-16(12,5)10-11/h11-12H,6-10H2,1-5H3,(H,17,18)
InChIKeyYBEVTMGBQAQLBJ-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine (CID 136985064) is 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine is CC1(C)CCS/C(=N\C2C3(C)CCC(C3)C2(C)C)N1.
What is the InChIKey of 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
The InChIKey is YBEVTMGBQAQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14(2)8-9-19-13(18-14)17-12-15(3,4)11-6-7-16(12,5)10-11/h11-12H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine?
4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine has a molecular weight of 280.48 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).