1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine

C14H21F3N2S — CID 106784571

IUPAC1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H21F3N2S/c1-13(2)5-4-9(7-18-3)10(6-13)11-8-19-12(20-11)14(15,16)17/h8-10,18H,4-7H2,1-3H3
InChIKeyNVOIRXGGGHCRGE-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.29
Rot. Bonds3

About 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine

1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine (PubChem CID 106784571) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
PubChem CID106784571
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H21F3N2S/c1-13(2)5-4-9(7-18-3)10(6-13)11-8-19-12(20-11)14(15,16)17/h8-10,18H,4-7H2,1-3H3
InChIKeyNVOIRXGGGHCRGE-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
CID 106784544
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]methyl]propan-1-amine
CID 106784550
1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81030626
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-ol
CID 106784212
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine (CID 106784571) is 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine?
The InChIKey is NVOIRXGGGHCRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-13(2)5-4-9(7-18-3)10(6-13)11-8-19-12(20-11)14(15,16)17/h8-10,18H,4-7H2,1-3H3.
What are the key properties of 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine?
1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine has a molecular weight of 306.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 106784571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).