4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine

C14H28N2S — CID 136848255

IUPAC4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
SMILESCC(C)CCC/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C14H28N2S/c1-11(2)7-6-9-15-13-16-12(8-10-17-13)14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyRBQPLMSEHRZRFY-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.92
Rot. Bonds4

About 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine

4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine (PubChem CID 136848255) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
PubChem CID136848255
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
SMILESCC(C)CCC/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C14H28N2S/c1-11(2)7-6-9-15-13-16-12(8-10-17-13)14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,16)
InChIKeyRBQPLMSEHRZRFY-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.92
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-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136848611
4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848441
N-(4-methylpentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747120
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
CID 136848574
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136848488
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136993429
4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
CID 136848101

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine (CID 136848255) is 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine is CC(C)CCC/N=C1/NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine?
The InChIKey is RBQPLMSEHRZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-11(2)7-6-9-15-13-16-12(8-10-17-13)14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine has a molecular weight of 256.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).