4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine

C12H22N2S — CID 136879365

IUPAC4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC2(C)CCC2)N1
InChIInChI=1S/C12H22N2S/c1-9-7-10(2)15-11(14-9)13-8-12(3)5-4-6-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyIGJRSUOCBMYVRY-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds2

About 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine

4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136879365) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136879365
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC2(C)CCC2)N1
InChIInChI=1S/C12H22N2S/c1-9-7-10(2)15-11(14-9)13-8-12(3)5-4-6-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyIGJRSUOCBMYVRY-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
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-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136964295
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136852292
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
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

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine (CID 136879365) is 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC2(C)CCC2)N1.
What is the InChIKey of 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is IGJRSUOCBMYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-7-10(2)15-11(14-9)13-8-12(3)5-4-6-12/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136879365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).