N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine

C13H24F3N — CID 20699945

IUPACN-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCCC1CCCCC1
InChIInChI=1S/C13H24F3N/c14-13(15,16)9-4-5-10-17-11-8-12-6-2-1-3-7-12/h12,17H,1-11H2
InChIKeyLQJMDDHTZIAYIX-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.28
Rot. Bonds7

About N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine

N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 20699945) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine
PubChem CID20699945
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCCC1CCCCC1
InChIInChI=1S/C13H24F3N/c14-13(15,16)9-4-5-10-17-11-8-12-6-2-1-3-7-12/h12,17H,1-11H2
InChIKeyLQJMDDHTZIAYIX-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine (CID 20699945) is N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is LQJMDDHTZIAYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c14-13(15,16)9-4-5-10-17-11-8-12-6-2-1-3-7-12/h12,17H,1-11H2.
What are the key properties of N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine?
N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 20699945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).