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

C13H22N2S — CID 104584851

IUPAC3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCC(C)C(C)C1)c1cscn1
InChIInChI=1S/C13H22N2S/c1-9-4-5-12(6-10(9)2)15-11(3)13-7-16-8-14-13/h7-12,15H,4-6H2,1-3H3
InChIKeyBVFGBVJUIRLOBT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.62
Rot. Bonds3

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

3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 104584851) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID104584851
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCC(C)C(C)C1)c1cscn1
InChIInChI=1S/C13H22N2S/c1-9-4-5-12(6-10(9)2)15-11(3)13-7-16-8-14-13/h7-12,15H,4-6H2,1-3H3
InChIKeyBVFGBVJUIRLOBT-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (CID 104584851) is 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is CC(NC1CCC(C)C(C)C1)c1cscn1.
What is the InChIKey of 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is BVFGBVJUIRLOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-4-5-12(6-10(9)2)15-11(3)13-7-16-8-14-13/h7-12,15H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 104584851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).