4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine

C12H24N2OS — CID 137000128

IUPAC4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine
SMILESCC(C)COCC/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C12H24N2OS/c1-10(2)9-15-7-6-13-11-14-12(3,4)5-8-16-11/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyXWQPDMRKURXTMG-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.52
Rot. Bonds5

About 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine

4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine (PubChem CID 137000128) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine
PubChem CID137000128
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine
SMILESCC(C)COCC/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C12H24N2OS/c1-10(2)9-15-7-6-13-11-14-12(3,4)5-8-16-11/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyXWQPDMRKURXTMG-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
CID 136985048
N-[3-(2-methylpropoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730403
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964
4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine
CID 136757364
N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136952014
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
methyl 2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-4-methylpentanoate
CID 136984947
4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine
CID 136987648
4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
CID 136896889
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984868

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine (CID 137000128) is 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine is CC(C)COCC/N=C1/NC(C)(C)CCS1.
What is the InChIKey of 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine?
The InChIKey is XWQPDMRKURXTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)9-15-7-6-13-11-14-12(3,4)5-8-16-11/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine?
4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine has a molecular weight of 244.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 137000128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).