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

C12H24N2S — CID 136757088

IUPACN-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CC(C)(C)C)N1
InChIInChI=1S/C12H24N2S/c1-6-12(5)7-8-15-10(14-12)13-9-11(2,3)4/h6-9H2,1-5H3,(H,13,14)
InChIKeyOQCFMMLYFRGPGE-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.28
Rot. Bonds2

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

N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757088) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757088
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CC(C)(C)C)N1
InChIInChI=1S/C12H24N2S/c1-6-12(5)7-8-15-10(14-12)13-9-11(2,3)4/h6-9H2,1-5H3,(H,13,14)
InChIKeyOQCFMMLYFRGPGE-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.28
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-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
4-ethyl-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061
4-ethyl-4-methyl-N-[(1-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136757430
N-tert-butyl-2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136757322
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-(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
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine
CID 136987648
N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756994
4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136757314

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136757088) is N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CC(C)(C)C)N1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is OQCFMMLYFRGPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-6-12(5)7-8-15-10(14-12)13-9-11(2,3)4/h6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 228.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).