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

C12H22N2S — CID 79870111

IUPACN-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1(C)CCCCC1NC1=NCCCS1
InChIInChI=1S/C12H22N2S/c1-12(2)7-4-3-6-10(12)14-11-13-8-5-9-15-11/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyXBBRSZZLJHQFBG-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds1

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

N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 79870111) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID79870111
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1(C)CCCCC1NC1=NCCCS1
InChIInChI=1S/C12H22N2S/c1-12(2)7-4-3-6-10(12)14-11-13-8-5-9-15-11/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyXBBRSZZLJHQFBG-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 79870111) is N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1(C)CCCCC1NC1=NCCCS1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XBBRSZZLJHQFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(2)7-4-3-6-10(12)14-11-13-8-5-9-15-11/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 79870111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).