2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 142280974

IUPAC2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(N)C(=O)NC1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-10(2,11)9(13)12-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7,11H2,1-2H3,(H,12,13);(H,6,7)
InChIKeyFQWLHBAGFCRZFX-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid

2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 142280974) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID142280974
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(N)C(=O)NC1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-10(2,11)9(13)12-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7,11H2,1-2H3,(H,12,13);(H,6,7)
InChIKeyFQWLHBAGFCRZFX-UHFFFAOYSA-N
XLogP1.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid (CID 142280974) is 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid is CC(C)(N)C(=O)NC1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is FQWLHBAGFCRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c1-10(2,11)9(13)12-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7,11H2,1-2H3,(H,12,13);(H,6,7).
What are the key properties of 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid?
2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-2-methylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 142280974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).