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

C12H24N2S — CID 104829033

IUPACN-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(NC(C)C(C)(C)C)=N1
InChIInChI=1S/C12H24N2S/c1-8-7-9(2)15-11(13-8)14-10(3)12(4,5)6/h8-10H,7H2,1-6H3,(H,13,14)
InChIKeyRNAGIPTVYVDMQN-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.28
Rot. Bonds1

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

N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 104829033) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID104829033
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CC(C)SC(NC(C)C(C)(C)C)=N1
InChIInChI=1S/C12H24N2S/c1-8-7-9(2)15-11(13-8)14-10(3)12(4,5)6/h8-10H,7H2,1-6H3,(H,13,14)
InChIKeyRNAGIPTVYVDMQN-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 104829033) is N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CC(C)SC(NC(C)C(C)(C)C)=N1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RNAGIPTVYVDMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-8-7-9(2)15-11(13-8)14-10(3)12(4,5)6/h8-10H,7H2,1-6H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 104829033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).