N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H31F3N2 — CID 62256039

IUPACN,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(CC)(CC)CNCC(C)C
InChIInChI=1S/C15H31F3N2/c1-6-14(7-2,10-19-9-13(4)5)11-20(8-3)12-15(16,17)18/h13,19H,6-12H2,1-5H3
InChIKeyJFHXGJSVIUGNPB-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.92
Rot. Bonds10

About N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256039) has the molecular formula C15H31F3N2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256039
Molecular FormulaC15H31F3N2
Molecular Weight296.42 g/mol
Exact Mass296.24
IUPAC NameN,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(CC)(CC)CNCC(C)C
InChIInChI=1S/C15H31F3N2/c1-6-14(7-2,10-19-9-13(4)5)11-20(8-3)12-15(16,17)18/h13,19H,6-12H2,1-5H3
InChIKeyJFHXGJSVIUGNPB-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256039) is N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(F)(F)F)CC(CC)(CC)CNCC(C)C.
What is the InChIKey of N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is JFHXGJSVIUGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2/c1-6-14(7-2,10-19-9-13(4)5)11-20(8-3)12-15(16,17)18/h13,19H,6-12H2,1-5H3.
What are the key properties of N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N'-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).