4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine

C16H24N2S — CID 136757300

IUPAC4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCc2ccccc2C)N1
InChIInChI=1S/C16H24N2S/c1-4-16(3)10-12-19-15(18-16)17-11-9-14-8-6-5-7-13(14)2/h5-8H,4,9-12H2,1-3H3,(H,17,18)
InChIKeyRWNAKLSBOPCPTL-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.79
Rot. Bonds4

About 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine (PubChem CID 136757300) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine
PubChem CID136757300
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCc2ccccc2C)N1
InChIInChI=1S/C16H24N2S/c1-4-16(3)10-12-19-15(18-16)17-11-9-14-8-6-5-7-13(14)2/h5-8H,4,9-12H2,1-3H3,(H,17,18)
InChIKeyRWNAKLSBOPCPTL-UHFFFAOYSA-N
XLogP3.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propyl]-N-methylaniline
CID 136757017
4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine
CID 136757364
4-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136757079
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
CID 136757233
4-ethyl-4-methyl-N-pentan-3-yl-1,3-thiazinan-2-imine
CID 136757003
4-ethyl-4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazinan-2-imine
CID 136756990
4-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136757180
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
methyl 2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propanoate
CID 136757113
4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
CID 136848101
1-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 115074223

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine (CID 136757300) is 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CCc2ccccc2C)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine?
The InChIKey is RWNAKLSBOPCPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-4-16(3)10-12-19-15(18-16)17-11-9-14-8-6-5-7-13(14)2/h5-8H,4,9-12H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine has a molecular weight of 276.45 g/mol, XLogP of 3.79, 4 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-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).