2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine

C11H19F3N4O — CID 62445031

IUPAC2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C11H19F3N4O/c1-9(2)5-15-6-10-7-18(17-16-10)3-4-19-8-11(12,13)14/h7,9,15H,3-6,8H2,1-2H3
InChIKeyRTXLQXBRBCGSQP-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.60
Rot. Bonds8

About 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 62445031) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID62445031
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(CCOCC(F)(F)F)nn1
InChIInChI=1S/C11H19F3N4O/c1-9(2)5-15-6-10-7-18(17-16-10)3-4-19-8-11(12,13)14/h7,9,15H,3-6,8H2,1-2H3
InChIKeyRTXLQXBRBCGSQP-UHFFFAOYSA-N
XLogP1.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine (CID 62445031) is 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(CCOCC(F)(F)F)nn1.
What is the InChIKey of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is RTXLQXBRBCGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-9(2)5-15-6-10-7-18(17-16-10)3-4-19-8-11(12,13)14/h7,9,15H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 280.29 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62445031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).