N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid

C8H16F3NO2 — CID 22623627

IUPACN,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCCN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-4-5-6-7(2)3;3-2(4,5)1(6)7/h4-6H2,1-3H3;(H,6,7)
InChIKeyLGJCQCVRBITIKZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.98
Rot. Bonds3

About N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid

N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 22623627) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID22623627
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC NameN,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCCN(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-4-5-6-7(2)3;3-2(4,5)1(6)7/h4-6H2,1-3H3;(H,6,7)
InChIKeyLGJCQCVRBITIKZ-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triethylamine; trifluoroacetic acid
CID 12210277
N,N,N-Tributylbutan-1-aminium trifluoroacetate
CID 3084618
1-Butyl-1-methylpyrrolidin-1-ium 2,2,2-trifluoroacetate
CID 45029431
Tributylamine acetate
CID 9942898
n,n-Dimethylbutylamine acetate
CID 22623645
N,N-diisopropylethylamine trifluoroacetate
CID 12593398
Tetrapropylazanium;2,2,2-trifluoroacetate
CID 21902798
Ethyl-dimethyl-propylazanium;2,2,2-trifluoroacetate
CID 22062392
1-Methylpyrrolidine;2,2,2-trifluoroacetic acid
CID 22623603
1-Ethylpiperidine;2,2,2-trifluoroacetic acid
CID 22623625
N,N-dipropylpropan-1-amine;2,2,2-trifluoroacetic acid
CID 85804201
N,N-dibutylbutan-1-amine;2,2,2-trifluoroacetic acid
CID 85804204

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid (CID 22623627) is N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid is CCCCN(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LGJCQCVRBITIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O2/c1-4-5-6-7(2)3;3-2(4,5)1(6)7/h4-6H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid?
N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 215.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22623627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).