N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine

C14H26N2S — CID 136933197

IUPACN-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\C2CCCC(C)C2C)N1
InChIInChI=1S/C14H26N2S/c1-4-12-8-9-17-14(15-12)16-13-7-5-6-10(2)11(13)3/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyHKHGXGVGKXYWTL-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.67
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine

N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine (PubChem CID 136933197) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine
PubChem CID136933197
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\C2CCCC(C)C2C)N1
InChIInChI=1S/C14H26N2S/c1-4-12-8-9-17-14(15-12)16-13-7-5-6-10(2)11(13)3/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyHKHGXGVGKXYWTL-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine (CID 136933197) is N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine is CCC1CCS/C(=N\C2CCCC(C)C2C)N1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine?
The InChIKey is HKHGXGVGKXYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-12-8-9-17-14(15-12)16-13-7-5-6-10(2)11(13)3/h10-13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine?
N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine has a molecular weight of 254.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-ethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).