1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

C13H22N2S — CID 115920049

IUPAC1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)(NC(C)c2cscn2)CC1
InChIInChI=1S/C13H22N2S/c1-10-4-6-13(3,7-5-10)15-11(2)12-8-16-9-14-12/h8-11,15H,4-7H2,1-3H3
InChIKeyLXIGXOOGWIUMTL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.76
Rot. Bonds3

About 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 115920049) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID115920049
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)(NC(C)c2cscn2)CC1
InChIInChI=1S/C13H22N2S/c1-10-4-6-13(3,7-5-10)15-11(2)12-8-16-9-14-12/h8-11,15H,4-7H2,1-3H3
InChIKeyLXIGXOOGWIUMTL-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (CID 115920049) is 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is CC1CCC(C)(NC(C)c2cscn2)CC1.
What is the InChIKey of 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is LXIGXOOGWIUMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-4-6-13(3,7-5-10)15-11(2)12-8-16-9-14-12/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115920049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).