N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine

C15H28F3NO — CID 62724844

IUPACN-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C15H28F3NO/c1-3-5-8-14(4-2,11-19-13-6-7-13)9-10-20-12-15(16,17)18/h13,19H,3-12H2,1-2H3
InChIKeyLJIOOKBUJUIMIH-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds11

About N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine

N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine (PubChem CID 62724844) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine
PubChem CID62724844
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C15H28F3NO/c1-3-5-8-14(4-2,11-19-13-6-7-13)9-10-20-12-15(16,17)18/h13,19H,3-12H2,1-2H3
InChIKeyLJIOOKBUJUIMIH-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine (CID 62724844) is N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine is CCCCC(CC)(CCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine?
The InChIKey is LJIOOKBUJUIMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-5-8-14(4-2,11-19-13-6-7-13)9-10-20-12-15(16,17)18/h13,19H,3-12H2,1-2H3.
What are the key properties of N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine?
N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexyl]cyclopropanamine is sourced from PubChem (CID 62724844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).