2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C13H25F3N2O — CID 62570544

IUPAC2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCCN(C(C)CNCC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H25F3N2O/c1-10(8-17-9-13(14,15)16)18(6-7-19-3)11(2)12-4-5-12/h10-12,17H,4-9H2,1-3H3
InChIKeyOLCDWASGSGKACX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.27
Rot. Bonds9

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

2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62570544) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62570544
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCOCCN(C(C)CNCC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H25F3N2O/c1-10(8-17-9-13(14,15)16)18(6-7-19-3)11(2)12-4-5-12/h10-12,17H,4-9H2,1-3H3
InChIKeyOLCDWASGSGKACX-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62570544) is 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is COCCN(C(C)CNCC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is OLCDWASGSGKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10(8-17-9-13(14,15)16)18(6-7-19-3)11(2)12-4-5-12/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62570544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).