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

C13H18F3NS — CID 112745540

IUPACN-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine
SMILESCCNC(c1cscc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H18F3NS/c1-2-17-12(9-5-3-4-6-9)10-7-18-8-11(10)13(14,15)16/h7-9,12,17H,2-6H2,1H3
InChIKeyWPIRBYYBAODFCJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.61
Rot. Bonds4

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

N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine (PubChem CID 112745540) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine
PubChem CID112745540
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine
SMILESCCNC(c1cscc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H18F3NS/c1-2-17-12(9-5-3-4-6-9)10-7-18-8-11(10)13(14,15)16/h7-9,12,17H,2-6H2,1H3
InChIKeyWPIRBYYBAODFCJ-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine (CID 112745540) is N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine is CCNC(c1cscc1C(F)(F)F)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine?
The InChIKey is WPIRBYYBAODFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-2-17-12(9-5-3-4-6-9)10-7-18-8-11(10)13(14,15)16/h7-9,12,17H,2-6H2,1H3.
What are the key properties of N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine?
N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine has a molecular weight of 277.35 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-[4-(trifluoromethyl)thiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 112745540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).