N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C15H28N2S — CID 115361472

IUPACN-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1CCC(CNC2=NCC(C)(C)CS2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-5-7-13(8-6-12)9-16-14-17-10-15(2,3)11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyKTKSSQWKNGALQA-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.92
Rot. Bonds3

About N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361472) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361472
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1CCC(CNC2=NCC(C)(C)CS2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-5-7-13(8-6-12)9-16-14-17-10-15(2,3)11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyKTKSSQWKNGALQA-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 115361472) is N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CCC1CCC(CNC2=NCC(C)(C)CS2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is KTKSSQWKNGALQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-12-5-7-13(8-6-12)9-16-14-17-10-15(2,3)11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 268.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).