2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine

C15H30F3NO — CID 62723630

IUPAC2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C15H30F3NO/c1-5-7-8-14(6-2,11-19-13(3)4)9-10-20-12-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyKLOWYFLBZRRLOG-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.54
Rot. Bonds11

About 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine

2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (PubChem CID 62723630) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
PubChem CID62723630
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C15H30F3NO/c1-5-7-8-14(6-2,11-19-13(3)4)9-10-20-12-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyKLOWYFLBZRRLOG-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.54
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 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (CID 62723630) is 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is CCCCC(CC)(CCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The InChIKey is KLOWYFLBZRRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-5-7-8-14(6-2,11-19-13(3)4)9-10-20-12-15(16,17)18/h13,19H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 62723630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).