N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

C11H23F3N2O — CID 54961645

IUPACN,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2,8-16(3)4)7-15-5-6-17-9-11(12,13)14/h15H,5-9H2,1-4H3
InChIKeyWCKFSBBWYWNTGT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.74
Rot. Bonds8

About N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (PubChem CID 54961645) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
PubChem CID54961645
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC NameN,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2,8-16(3)4)7-15-5-6-17-9-11(12,13)14/h15H,5-9H2,1-4H3
InChIKeyWCKFSBBWYWNTGT-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine (CID 54961645) is N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is CN(C)CC(C)(C)CNCCOCC(F)(F)F.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
The InChIKey is WCKFSBBWYWNTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-10(2,8-16(3)4)7-15-5-6-17-9-11(12,13)14/h15H,5-9H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine has a molecular weight of 256.31 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 54961645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).