4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine

C13H24N2S — CID 136848441

IUPAC4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CC1C/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C13H24N2S/c1-9-7-10(9)8-14-12-15-11(5-6-16-12)13(2,3)4/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyRBJLOQVADBCPJW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.14
Rot. Bonds2

About 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine

4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136848441) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136848441
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CC1C/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C13H24N2S/c1-9-7-10(9)8-14-12-15-11(5-6-16-12)13(2,3)4/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyRBJLOQVADBCPJW-UHFFFAOYSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.14
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-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136848047
4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
CID 136848255
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136848488
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136848036
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
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136993375
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
4-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136848612
4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848160
4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
CID 136848574

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine (CID 136848441) is 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine is CC1CC1C/N=C1/NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is RBJLOQVADBCPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9-7-10(9)8-14-12-15-11(5-6-16-12)13(2,3)4/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 240.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).