2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H28F3NO2 — CID 62725252

IUPAC2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CC)(CCCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C14H28F3NO2/c1-4-13(5-2,11-18-8-10-19-3)7-6-9-20-12-14(15,16)17/h18H,4-12H2,1-3H3
InChIKeyOUBNWXNCGRKJEI-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.39
Rot. Bonds12

About 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62725252) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62725252
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC Name2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CC)(CCCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C14H28F3NO2/c1-4-13(5-2,11-18-8-10-19-3)7-6-9-20-12-14(15,16)17/h18H,4-12H2,1-3H3
InChIKeyOUBNWXNCGRKJEI-UHFFFAOYSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62725252) is 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCC(CC)(CCCOCC(F)(F)F)CNCCOC.
What is the InChIKey of 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is OUBNWXNCGRKJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2/c1-4-13(5-2,11-18-8-10-19-3)7-6-9-20-12-14(15,16)17/h18H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62725252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).