2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine

C11H21F3N2O — CID 55004003

IUPAC2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCOCCN(C(C)C1CC1)C(CN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(9-3-4-9)16(5-6-17-2)10(7-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyOASZOWQTKGUOBW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds7

About 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine

2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine (PubChem CID 55004003) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine
PubChem CID55004003
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCOCCN(C(C)C1CC1)C(CN)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(9-3-4-9)16(5-6-17-2)10(7-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyOASZOWQTKGUOBW-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine (CID 55004003) is 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine is COCCN(C(C)C1CC1)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine?
The InChIKey is OASZOWQTKGUOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(9-3-4-9)16(5-6-17-2)10(7-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine?
2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine is sourced from PubChem (CID 55004003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).