N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine

C13H24N2S — CID 136755282

IUPACN-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC2CCCCC2)N1
InChIInChI=1S/C13H24N2S/c1-10-8-11(2)16-13(15-10)14-9-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyPDXJSLBAWMLGKK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.43
Rot. Bonds2

About N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136755282) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136755282
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC2CCCCC2)N1
InChIInChI=1S/C13H24N2S/c1-10-8-11(2)16-13(15-10)14-9-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyPDXJSLBAWMLGKK-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136964295
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
CID 136755447
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136755282) is N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC2CCCCC2)N1.
What is the InChIKey of N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is PDXJSLBAWMLGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10-8-11(2)16-13(15-10)14-9-12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 240.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).