3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

C18H25F3N2O — CID 141060050

IUPAC3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESFC(F)(F)c1cccc(CNC2CCCC(OC3CCCC3)C2)n1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-10-4-6-14(23-17)12-22-13-5-3-9-16(11-13)24-15-7-1-2-8-15/h4,6,10,13,15-16,22H,1-3,5,7-9,11-12H2
InChIKeyBLULIOLWXVITPT-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.46
Rot. Bonds5

About 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine

3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (PubChem CID 141060050) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
PubChem CID141060050
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
SMILESFC(F)(F)c1cccc(CNC2CCCC(OC3CCCC3)C2)n1
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-10-4-6-14(23-17)12-22-13-5-3-9-16(11-13)24-15-7-1-2-8-15/h4,6,10,13,15-16,22H,1-3,5,7-9,11-12H2
InChIKeyBLULIOLWXVITPT-UHFFFAOYSA-N
XLogP4.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine (CID 141060050) is 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is FC(F)(F)c1cccc(CNC2CCCC(OC3CCCC3)C2)n1.
What is the InChIKey of 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
The InChIKey is BLULIOLWXVITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)17-10-4-6-14(23-17)12-22-13-5-3-9-16(11-13)24-15-7-1-2-8-15/h4,6,10,13,15-16,22H,1-3,5,7-9,11-12H2.
What are the key properties of 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine?
3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine has a molecular weight of 342.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141060050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).