N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C13H27F3N2 — CID 62257217

IUPACN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-7-12(5,8-17-11(2,3)4)9-18(6)10-13(14,15)16/h17H,7-10H2,1-6H3
InChIKeyMIXUQYUOKHILHU-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.28
Rot. Bonds6

About N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62257217) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62257217
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-7-12(5,8-17-11(2,3)4)9-18(6)10-13(14,15)16/h17H,7-10H2,1-6H3
InChIKeyMIXUQYUOKHILHU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257915
2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486903
N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 105417150
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211386
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256691
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62257217) is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)CC(F)(F)F.
What is the InChIKey of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is MIXUQYUOKHILHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-7-12(5,8-17-11(2,3)4)9-18(6)10-13(14,15)16/h17H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62257217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).