4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine

C14H28N2S — CID 136981204

IUPAC4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(C(C)C)C(C)C)N1
InChIInChI=1S/C14H28N2S/c1-9(2)13(10(3)4)8-15-14-16-11(5)7-12(6)17-14/h9-13H,7-8H2,1-6H3,(H,15,16)
InChIKeyGLOCNTPBLVXOGE-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.77
Rot. Bonds4

About 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine

4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine (PubChem CID 136981204) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
PubChem CID136981204
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC(C(C)C)C(C)C)N1
InChIInChI=1S/C14H28N2S/c1-9(2)13(10(3)4)8-15-14-16-11(5)7-12(6)17-14/h9-13H,7-8H2,1-6H3,(H,15,16)
InChIKeyGLOCNTPBLVXOGE-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.77
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-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
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-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine (CID 136981204) is 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC(C(C)C)C(C)C)N1.
What is the InChIKey of 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine?
The InChIKey is GLOCNTPBLVXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-9(2)13(10(3)4)8-15-14-16-11(5)7-12(6)17-14/h9-13H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine has a molecular weight of 256.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136981204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).