1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine

C11H20N4S — CID 79111027

IUPAC1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2nc(C)ns2)CC1
InChIInChI=1S/C11H20N4S/c1-8-13-11(16-14-8)15(3)10-6-4-9(12-2)5-7-10/h9-10,12H,4-7H2,1-3H3
InChIKeyXDKFTUKURQNTEY-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.81
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 79111027) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
PubChem CID79111027
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2nc(C)ns2)CC1
InChIInChI=1S/C11H20N4S/c1-8-13-11(16-14-8)15(3)10-6-4-9(12-2)5-7-10/h9-10,12H,4-7H2,1-3H3
InChIKeyXDKFTUKURQNTEY-UHFFFAOYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine (CID 79111027) is 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)c2nc(C)ns2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is XDKFTUKURQNTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-13-11(16-14-8)15(3)10-6-4-9(12-2)5-7-10/h9-10,12H,4-7H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79111027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).