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

C13H26F3NO — CID 62514154

IUPAC2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CCCOCC(F)(F)F)CNCC(C)C
InChIInChI=1S/C13H26F3NO/c1-4-12(9-17-8-11(2)3)6-5-7-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyMARQLLJWGDCUBX-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.62
Rot. Bonds10

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

2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62514154) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62514154
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CCCOCC(F)(F)F)CNCC(C)C
InChIInChI=1S/C13H26F3NO/c1-4-12(9-17-8-11(2)3)6-5-7-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyMARQLLJWGDCUBX-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.62
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-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62514154) is 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCC(CCCOCC(F)(F)F)CNCC(C)C.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is MARQLLJWGDCUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-12(9-17-8-11(2)3)6-5-7-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62514154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).