N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine

C13H26N2OS — CID 136723649

IUPACN-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCOCCC(C)(C)C/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C13H26N2OS/c1-10-8-11(2)17-12(15-10)14-9-13(3,4)6-7-16-5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyIBZIVPNJFKXMBZ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.91
Rot. Bonds5

About N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136723649) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136723649
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCOCCC(C)(C)C/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C13H26N2OS/c1-10-8-11(2)17-12(15-10)14-9-13(3,4)6-7-16-5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyIBZIVPNJFKXMBZ-UHFFFAOYSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
CID 136755447
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723642
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(4-methoxy-2,2-dimethylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136723647
2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-methylacetamide
CID 136755278
N-(4-methoxy-2,2-dimethylbutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730441
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136723649) is N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine is COCCC(C)(C)C/N=C1/NC(C)CC(C)S1.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is IBZIVPNJFKXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10-8-11(2)17-12(15-10)14-9-13(3,4)6-7-16-5/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 258.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136723649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).