N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid

C16H35F3N2O2 — CID 159791667

IUPACN,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCN(C(C)C)C(C)C.CCN(CC)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C8H19N.C6H15N.C2HF3O2/c1-6-9(7(2)3)8(4)5;1-4-7(5-2)6-3;3-2(4,5)1(6)7/h7-8H,6H2,1-5H3;4-6H2,1-3H3;(H,6,7)
InChIKeyNIQGAKDZQAVPLX-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.11
Rot. Bonds6

About N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid

N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 159791667) has the molecular formula C16H35F3N2O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID159791667
Molecular FormulaC16H35F3N2O2
Molecular Weight344.46 g/mol
Exact Mass344.27
IUPAC NameN,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCCN(C(C)C)C(C)C.CCN(CC)CC.O=C(O)C(F)(F)F
InChIInChI=1S/C8H19N.C6H15N.C2HF3O2/c1-6-9(7(2)3)8(4)5;1-4-7(5-2)6-3;3-2(4,5)1(6)7/h7-8H,6H2,1-5H3;4-6H2,1-3H3;(H,6,7)
InChIKeyNIQGAKDZQAVPLX-UHFFFAOYSA-N
XLogP4.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

Triethylamine; trifluoroacetic acid
CID 12210277
N,N-diisopropylethylamine trifluoroacetate
CID 12593398
N,N-dipropylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 85804201
Tetrabutylazanium;2,2,2-trifluoroacetic acid
CID 118590896
Tetraethylammonium trifluoroacetate, 98%
CID 123134708
Acetic acid;tetrabutylazanium;2,2,2-trifluoroacetic acid
CID 162278422
N,N-dimethylpentan-3-amine;2,2,2-trifluoroacetic acid
CID 171925784
bis(N,N-diethylethanamine);bis(2,2,2-trifluoroacetic acid)
CID 173108112
N-methyl-N-propan-2-ylpropan-2-amine;2,2,3,3,3-pentafluoropropanoic acid
CID 175215042
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120
N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 171338229
N,N-dimethylbutan-2-amine;2,2,2-trifluoroacetic acid
CID 171338244

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid (CID 159791667) is N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid is CCN(C(C)C)C(C)C.CCN(CC)CC.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NIQGAKDZQAVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C6H15N.C2HF3O2/c1-6-9(7(2)3)8(4)5;1-4-7(5-2)6-3;3-2(4,5)1(6)7/h7-8H,6H2,1-5H3;4-6H2,1-3H3;(H,6,7).
What are the key properties of N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid?
N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 344.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;N-ethyl-N-propan-2-ylpropan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159791667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).