2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C12H24F3NO — CID 55083441

IUPAC2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCNCC(CC)CCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-7-16-9-11(4-2)6-5-8-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyPQJXSACCHTZZLT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds10

About 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 55083441) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID55083441
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCNCC(CC)CCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-7-16-9-11(4-2)6-5-8-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyPQJXSACCHTZZLT-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
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-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 55083441) is 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCNCC(CC)CCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is PQJXSACCHTZZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-7-16-9-11(4-2)6-5-8-17-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 55083441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).