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

C12H22N2S — CID 65036487

IUPACN-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CCCCC2)SC1
InChIInChI=1S/C12H22N2S/c1-10-7-13-12(15-9-10)14-8-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyIPXGGSUJEXLOJA-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.90
Rot. Bonds2

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

N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65036487) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65036487
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CCCCC2)SC1
InChIInChI=1S/C12H22N2S/c1-10-7-13-12(15-9-10)14-8-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyIPXGGSUJEXLOJA-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65036487) is N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC2CCCCC2)SC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is IPXGGSUJEXLOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10-7-13-12(15-9-10)14-8-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65036487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).