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

C15H28N2S — CID 136993382

IUPACN-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\C2CCCCC2(C)C)N1
InChIInChI=1S/C15H28N2S/c1-11(2)12-8-10-18-14(16-12)17-13-7-5-6-9-15(13,3)4/h11-13H,5-10H2,1-4H3,(H,16,17)
InChIKeyQHZTVEYAIQTFIW-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.06
Rot. Bonds2

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

N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993382) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993382
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\C2CCCCC2(C)C)N1
InChIInChI=1S/C15H28N2S/c1-11(2)12-8-10-18-14(16-12)17-13-7-5-6-9-15(13,3)4/h11-13H,5-10H2,1-4H3,(H,16,17)
InChIKeyQHZTVEYAIQTFIW-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.06
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

4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazinan-2-imine
CID 136848311
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948856
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
CID 137010908
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848253

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993382) is N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\C2CCCCC2(C)C)N1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is QHZTVEYAIQTFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-11(2)12-8-10-18-14(16-12)17-13-7-5-6-9-15(13,3)4/h11-13H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).