N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

C15H22F3NS — CID 43788057

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)C(NC1CCCCC1C(F)(F)F)c1cccs1
InChIInChI=1S/C15H22F3NS/c1-10(2)14(13-8-5-9-20-13)19-12-7-4-3-6-11(12)15(16,17)18/h5,8-12,14,19H,3-4,6-7H2,1-2H3
InChIKeyXOVCBWJCGLZCLK-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.16
Rot. Bonds4

About N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43788057) has the molecular formula C15H22F3NS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43788057
Molecular FormulaC15H22F3NS
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)C(NC1CCCCC1C(F)(F)F)c1cccs1
InChIInChI=1S/C15H22F3NS/c1-10(2)14(13-8-5-9-20-13)19-12-7-4-3-6-11(12)15(16,17)18/h5,8-12,14,19H,3-4,6-7H2,1-2H3
InChIKeyXOVCBWJCGLZCLK-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 43788057) is N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is CC(C)C(NC1CCCCC1C(F)(F)F)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XOVCBWJCGLZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NS/c1-10(2)14(13-8-5-9-20-13)19-12-7-4-3-6-11(12)15(16,17)18/h5,8-12,14,19H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 305.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43788057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).