(2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 67431155

IUPAC(2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@@H](N)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-12(2)10(13)9(11)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8-9H,3-7,11H2,1-2H3;(H,6,7)/t9-;/m0./s1
InChIKeyZZDWYCYFMSQTCB-FVGYRXGTSA-N
MW298.31 g/mol
LogP1.62
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 67431155) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID67431155
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name(2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@@H](N)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-12(2)10(13)9(11)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8-9H,3-7,11H2,1-2H3;(H,6,7)/t9-;/m0./s1
InChIKeyZZDWYCYFMSQTCB-FVGYRXGTSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 67431155) is (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@@H](N)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZZDWYCYFMSQTCB-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c1-12(2)10(13)9(11)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8-9H,3-7,11H2,1-2H3;(H,6,7)/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67431155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).