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

C16H33F3N2 — CID 63495330

IUPACN-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(CC)(CC)CNC(C)(C)C
InChIInChI=1S/C16H33F3N2/c1-7-10-21(13-16(17,18)19)12-15(8-2,9-3)11-20-14(4,5)6/h20H,7-13H2,1-6H3
InChIKeyCJMLIFRAGHUBJU-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.46
Rot. Bonds9

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

N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 63495330) has the molecular formula C16H33F3N2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID63495330
Molecular FormulaC16H33F3N2
Molecular Weight310.45 g/mol
Exact Mass310.26
IUPAC NameN-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCN(CC(F)(F)F)CC(CC)(CC)CNC(C)(C)C
InChIInChI=1S/C16H33F3N2/c1-7-10-21(13-16(17,18)19)12-15(8-2,9-3)11-20-14(4,5)6/h20H,7-13H2,1-6H3
InChIKeyCJMLIFRAGHUBJU-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 63495330) is N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCN(CC(F)(F)F)CC(CC)(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is CJMLIFRAGHUBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F3N2/c1-7-10-21(13-16(17,18)19)12-15(8-2,9-3)11-20-14(4,5)6/h20H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 310.45 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 63495330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).