2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C11H23F3N2O — CID 55087800

IUPAC2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(CC(F)(F)F)C(C)CNCCCOC
InChIInChI=1S/C11H23F3N2O/c1-4-16(9-11(12,13)14)10(2)8-15-6-5-7-17-3/h10,15H,4-9H2,1-3H3
InChIKeyFXRGSHUKWYEBNN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds9

About 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55087800) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55087800
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(CC(F)(F)F)C(C)CNCCCOC
InChIInChI=1S/C11H23F3N2O/c1-4-16(9-11(12,13)14)10(2)8-15-6-5-7-17-3/h10,15H,4-9H2,1-3H3
InChIKeyFXRGSHUKWYEBNN-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
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-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55087800) is 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCN(CC(F)(F)F)C(C)CNCCCOC.
What is the InChIKey of 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is FXRGSHUKWYEBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-16(9-11(12,13)14)10(2)8-15-6-5-7-17-3/h10,15H,4-9H2,1-3H3.
What are the key properties of 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55087800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).