6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide

C13H23F3N2O — CID 65291497

IUPAC6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-12(2,7-8-17)6-5-11(19)18(10-3-4-10)9-13(14,15)16/h10H,3-9,17H2,1-2H3
InChIKeyVQAAHBWVEDLMPG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds7

About 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide

6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 65291497) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID65291497
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-12(2,7-8-17)6-5-11(19)18(10-3-4-10)9-13(14,15)16/h10H,3-9,17H2,1-2H3
InChIKeyVQAAHBWVEDLMPG-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide (CID 65291497) is 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide is CC(C)(CCN)CCC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is VQAAHBWVEDLMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(2,7-8-17)6-5-11(19)18(10-3-4-10)9-13(14,15)16/h10H,3-9,17H2,1-2H3.
What are the key properties of 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide?
6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 280.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclopropyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 65291497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).