N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H24N2S — CID 65036243

IUPACN-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCC2CCCCC2)SC1
InChIInChI=1S/C13H24N2S/c1-11-9-15-13(16-10-11)14-8-7-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyADHPJZOWULVYDE-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.29
Rot. Bonds3

About N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036243) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036243
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCC2CCCCC2)SC1
InChIInChI=1S/C13H24N2S/c1-11-9-15-13(16-10-11)14-8-7-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyADHPJZOWULVYDE-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036243) is N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCC2CCCCC2)SC1.
What is the InChIKey of N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ADHPJZOWULVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11-9-15-13(16-10-11)14-8-7-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).