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

C14H28N2S — CID 136848397

IUPAC4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CC(C)C(C)(C)C)N1
InChIInChI=1S/C14H28N2S/c1-10(2)12-7-8-17-13(16-12)15-9-11(3)14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16)
InChIKeyMIANVRMFCPFCTR-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.78
Rot. Bonds3

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

4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine (PubChem CID 136848397) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
PubChem CID136848397
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CC(C)C(C)(C)C)N1
InChIInChI=1S/C14H28N2S/c1-10(2)12-7-8-17-13(16-12)15-9-11(3)14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16)
InChIKeyMIANVRMFCPFCTR-UHFFFAOYSA-N
XLogP3.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.78
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-(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
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848253
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine (CID 136848397) is 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CC(C)C(C)(C)C)N1.
What is the InChIKey of 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine?
The InChIKey is MIANVRMFCPFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-10(2)12-7-8-17-13(16-12)15-9-11(3)14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine?
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine has a molecular weight of 256.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).