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

C10H17F3N2S — CID 136755474

IUPAC4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCCC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-7-6-8(2)16-9(15-7)14-5-3-4-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyQMVMFQKKERUTLQ-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.19
Rot. Bonds3

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

4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine (PubChem CID 136755474) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
PubChem CID136755474
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCCC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-7-6-8(2)16-9(15-7)14-5-3-4-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyQMVMFQKKERUTLQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.19
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

N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943215
4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943218
5-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943221
4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943223
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943226
5-propyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943236
4-methyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943238
4-methyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943243
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943246
5,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 105943247
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943251

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine (CID 136755474) is 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCCC(F)(F)F)N1.
What is the InChIKey of 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine?
The InChIKey is QMVMFQKKERUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-7-6-8(2)16-9(15-7)14-5-3-4-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine has a molecular weight of 254.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).