1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine

C12H16F3NS — CID 112745539

IUPAC1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
SMILESCNC(c1cscc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H16F3NS/c1-16-11(8-4-2-3-5-8)9-6-17-7-10(9)12(13,14)15/h6-8,11,16H,2-5H2,1H3
InChIKeyZNTYFFHRXFYNKO-UHFFFAOYSA-N
MW263.33 g/mol
LogP4.22
Rot. Bonds3

About 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine

1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine (PubChem CID 112745539) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
PubChem CID112745539
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
SMILESCNC(c1cscc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C12H16F3NS/c1-16-11(8-4-2-3-5-8)9-6-17-7-10(9)12(13,14)15/h6-8,11,16H,2-5H2,1H3
InChIKeyZNTYFFHRXFYNKO-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine (CID 112745539) is 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine is CNC(c1cscc1C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
The InChIKey is ZNTYFFHRXFYNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-16-11(8-4-2-3-5-8)9-6-17-7-10(9)12(13,14)15/h6-8,11,16H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine has a molecular weight of 263.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 112745539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).