3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol

C9H19F3N2O — CID 137390021

IUPAC3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCN(C)N(CC)CC(C)(O)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-5-13(4)14(6-2)7-8(3,15)9(10,11)12/h15H,5-7H2,1-4H3
InChIKeyXEMRBLRBCXIQRL-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.49
Rot. Bonds5

About 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol

3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 137390021) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID137390021
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCN(C)N(CC)CC(C)(O)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-5-13(4)14(6-2)7-8(3,15)9(10,11)12/h15H,5-7H2,1-4H3
InChIKeyXEMRBLRBCXIQRL-UHFFFAOYSA-N
XLogP1.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol (CID 137390021) is 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol is CCN(C)N(CC)CC(C)(O)C(F)(F)F.
What is the InChIKey of 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is XEMRBLRBCXIQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-5-13(4)14(6-2)7-8(3,15)9(10,11)12/h15H,5-7H2,1-4H3.
What are the key properties of 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol?
3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl(methyl)amino]amino]-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 137390021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).