4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine

C13H26N2S — CID 136985048

IUPAC4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
SMILESCC(C)CCC(C)/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C13H26N2S/c1-10(2)6-7-11(3)14-12-15-13(4,5)8-9-16-12/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyREKLLEMMZRXHNH-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.67
Rot. Bonds4

About 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine

4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine (PubChem CID 136985048) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
PubChem CID136985048
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
SMILESCC(C)CCC(C)/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C13H26N2S/c1-10(2)6-7-11(3)14-12-15-13(4,5)8-9-16-12/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyREKLLEMMZRXHNH-UHFFFAOYSA-N
XLogP3.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
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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Related Compounds

N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984868
methyl 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-4-methylpentanoate
CID 136984947
4-ethyl-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757276
4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine
CID 137000128
4,4-dimethyl-N-(1-thiophen-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136984934
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136985047
4-ethyl-4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazinan-2-imine
CID 136756990
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
CID 136757233
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine (CID 136985048) is 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine is CC(C)CCC(C)/N=C1/NC(C)(C)CCS1.
What is the InChIKey of 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine?
The InChIKey is REKLLEMMZRXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10(2)6-7-11(3)14-12-15-13(4,5)8-9-16-12/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine?
4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine has a molecular weight of 242.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136985048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).