4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine

C17H24N2S — CID 136757201

IUPAC4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C2CCc3ccccc3C2)N1
InChIInChI=1S/C17H24N2S/c1-3-17(2)10-11-20-16(19-17)18-15-9-8-13-6-4-5-7-14(13)12-15/h4-7,15H,3,8-12H2,1-2H3,(H,18,19)
InChIKeyKWDDXXKYWUCKGE-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.80
Rot. Bonds2

About 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine (PubChem CID 136757201) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
PubChem CID136757201
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C2CCc3ccccc3C2)N1
InChIInChI=1S/C17H24N2S/c1-3-17(2)10-11-20-16(19-17)18-15-9-8-13-6-4-5-7-14(13)12-15/h4-7,15H,3,8-12H2,1-2H3,(H,18,19)
InChIKeyKWDDXXKYWUCKGE-UHFFFAOYSA-N
XLogP3.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.80
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-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine (CID 136757201) is 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\C2CCc3ccccc3C2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine?
The InChIKey is KWDDXXKYWUCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-17(2)10-11-20-16(19-17)18-15-9-8-13-6-4-5-7-14(13)12-15/h4-7,15H,3,8-12H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine has a molecular weight of 288.46 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).