N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

C13H24F3N5 — CID 62426987

IUPACN-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CCn1cc(CNC(C)(C)C)nn1)CC(F)(F)F
InChIInChI=1S/C13H24F3N5/c1-5-20(10-13(14,15)16)6-7-21-9-11(18-19-21)8-17-12(2,3)4/h9,17H,5-8,10H2,1-4H3
InChIKeyASYCMGYWPKFAJT-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.05
Rot. Bonds7

About N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62426987) has the molecular formula C13H24F3N5 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62426987
Molecular FormulaC13H24F3N5
Molecular Weight307.36 g/mol
Exact Mass307.20
IUPAC NameN-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CCn1cc(CNC(C)(C)C)nn1)CC(F)(F)F
InChIInChI=1S/C13H24F3N5/c1-5-20(10-13(14,15)16)6-7-21-9-11(18-19-21)8-17-12(2,3)4/h9,17H,5-8,10H2,1-4H3
InChIKeyASYCMGYWPKFAJT-UHFFFAOYSA-N
XLogP2.05
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62426987) is N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CCN(CCn1cc(CNC(C)(C)C)nn1)CC(F)(F)F.
What is the InChIKey of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ASYCMGYWPKFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N5/c1-5-20(10-13(14,15)16)6-7-21-9-11(18-19-21)8-17-12(2,3)4/h9,17H,5-8,10H2,1-4H3.
What are the key properties of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62426987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).