2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C13H27F3N2 — CID 107473338

IUPAC2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)N(CC(CN)CC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-10(2)18(9-13(14,15)16)8-11(7-17)6-12(3,4)5/h10-11H,6-9,17H2,1-5H3
InChIKeyZCTKELGZDADADP-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 107473338) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID107473338
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)N(CC(CN)CC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-10(2)18(9-13(14,15)16)8-11(7-17)6-12(3,4)5/h10-11H,6-9,17H2,1-5H3
InChIKeyZCTKELGZDADADP-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 107473338) is 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC(C)N(CC(CN)CC(C)(C)C)CC(F)(F)F.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is ZCTKELGZDADADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-10(2)18(9-13(14,15)16)8-11(7-17)6-12(3,4)5/h10-11H,6-9,17H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 107473338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).