N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine

C11H22N2S — CID 136984895

IUPACN-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC(C)(C)C/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C11H22N2S/c1-10(2,3)8-12-9-13-11(4,5)6-7-14-9/h6-8H2,1-5H3,(H,12,13)
InChIKeySEQKCVJQUSRSFQ-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.89
Rot. Bonds1

About N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine

N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136984895) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136984895
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC(C)(C)C/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C11H22N2S/c1-10(2,3)8-12-9-13-11(4,5)6-7-14-9/h6-8H2,1-5H3,(H,12,13)
InChIKeySEQKCVJQUSRSFQ-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.89
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-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136984895) is N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine is CC(C)(C)C/N=C1/NC(C)(C)CCS1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is SEQKCVJQUSRSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-10(2,3)8-12-9-13-11(4,5)6-7-14-9/h6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 214.38 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136984895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).