5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine

C12H24N2S — CID 115361325

IUPAC5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC(C)C(C)NC1=NCC(C)(C)CS1
InChIInChI=1S/C12H24N2S/c1-6-9(2)10(3)14-11-13-7-12(4,5)8-15-11/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyLNNJRGUQECRBBG-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.14
Rot. Bonds3

About 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361325) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361325
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC(C)C(C)NC1=NCC(C)(C)CS1
InChIInChI=1S/C12H24N2S/c1-6-9(2)10(3)14-11-13-7-12(4,5)8-15-11/h9-10H,6-8H2,1-5H3,(H,13,14)
InChIKeyLNNJRGUQECRBBG-UHFFFAOYSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2-methylpropyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361495
N-(2,2-difluoroethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115407841
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361760
N-hexyl-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361245
5,5-dimethyl-N-(3-propoxypropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 82943455
5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361477
5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361656
5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361640
ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 115361499
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
N-(2-cyclopentyloxyethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361644
3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410836

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine (CID 115361325) is 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine is CCC(C)C(C)NC1=NCC(C)(C)CS1.
What is the InChIKey of 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is LNNJRGUQECRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-6-9(2)10(3)14-11-13-7-12(4,5)8-15-11/h9-10H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-methylpentan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).