4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine

C15H30N2S — CID 136701837

IUPAC4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
SMILESCC(C)CCCCCC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C15H30N2S/c1-12(2)9-7-5-6-8-10-16-15-17-13(3)11-14(4)18-15/h12-14H,5-11H2,1-4H3,(H,16,17)
InChIKeyPTPYGVIJCLYVTE-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.45
Rot. Bonds7

About 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine

4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine (PubChem CID 136701837) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
PubChem CID136701837
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
SMILESCC(C)CCCCCC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C15H30N2S/c1-12(2)9-7-5-6-8-10-16-15-17-13(3)11-14(4)18-15/h12-14H,5-11H2,1-4H3,(H,16,17)
InChIKeyPTPYGVIJCLYVTE-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
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
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136701825
4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
CID 136755340
N-(4-methylpentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747120

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine (CID 136701837) is 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine is CC(C)CCCCCC/N=C1/NC(C)CC(C)S1.
What is the InChIKey of 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine?
The InChIKey is PTPYGVIJCLYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-12(2)9-7-5-6-8-10-16-15-17-13(3)11-14(4)18-15/h12-14H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine has a molecular weight of 270.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136701837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).