N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine

C13H28F3N3 — CID 62554657

IUPACN',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H28F3N3/c1-5-18(6-2)9-7-17-8-10-19(12(3)4)11-13(14,15)16/h12,17H,5-11H2,1-4H3
InChIKeyUGCQZUIWHAGBQV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.19
Rot. Bonds10

About N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 62554657) has the molecular formula C13H28F3N3 and a molecular weight of 283.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
PubChem CID62554657
Molecular FormulaC13H28F3N3
Molecular Weight283.38 g/mol
Exact Mass283.22
IUPAC NameN',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C13H28F3N3/c1-5-18(6-2)9-7-17-8-10-19(12(3)4)11-13(14,15)16/h12,17H,5-11H2,1-4H3
InChIKeyUGCQZUIWHAGBQV-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554816
N'-ethyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089721
N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115705887
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
CID 176601530
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427327
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine (CID 62554657) is N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine is CCN(CC)CCNCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is UGCQZUIWHAGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F3N3/c1-5-18(6-2)9-7-17-8-10-19(12(3)4)11-13(14,15)16/h12,17H,5-11H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62554657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).