2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C13H27F3N2 — CID 62258085

IUPAC2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-5-8-17-9-12(6-2,7-3)10-18(4)11-13(14,15)16/h17H,5-11H2,1-4H3
InChIKeyIMJWHOOALDMOMC-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.29
Rot. Bonds9

About 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62258085) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62258085
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-5-8-17-9-12(6-2,7-3)10-18(4)11-13(14,15)16/h17H,5-11H2,1-4H3
InChIKeyIMJWHOOALDMOMC-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.29
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 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62258085) is 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCNCC(CC)(CC)CN(C)CC(F)(F)F.
What is the InChIKey of 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is IMJWHOOALDMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-5-8-17-9-12(6-2,7-3)10-18(4)11-13(14,15)16/h17H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62258085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).