N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine

C13H24N2S — CID 136756994

IUPACN-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C2CCCCC2)N1
InChIInChI=1S/C13H24N2S/c1-3-13(2)9-10-16-12(15-13)14-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyKSFCFUMWMPRXFB-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.57
Rot. Bonds2

About N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine

N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136756994) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
PubChem CID136756994
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C2CCCCC2)N1
InChIInChI=1S/C13H24N2S/c1-3-13(2)9-10-16-12(15-13)14-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyKSFCFUMWMPRXFB-UHFFFAOYSA-N
XLogP3.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.57
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

4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
CID 136757099
4-ethyl-N-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757108
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791
4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
CID 136757201
4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136757314
4-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757143
4-ethyl-4-methyl-N-[(1-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136757430
N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine
CID 136757242
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
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-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine (CID 136756994) is N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\C2CCCCC2)N1.
What is the InChIKey of N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is KSFCFUMWMPRXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-13(2)9-10-16-12(15-13)14-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine?
N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 240.42 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethyl-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).