6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide

C13H25F3N2O — CID 54872115

IUPAC6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CCCCCN
InChIInChI=1S/C13H25F3N2O/c1-3-11(4-2)18(10-13(14,15)16)12(19)8-6-5-7-9-17/h11H,3-10,17H2,1-2H3
InChIKeyPWULGNDMRUVBRZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.09
Rot. Bonds9

About 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide

6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 54872115) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID54872115
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)CCCCCN
InChIInChI=1S/C13H25F3N2O/c1-3-11(4-2)18(10-13(14,15)16)12(19)8-6-5-7-9-17/h11H,3-10,17H2,1-2H3
InChIKeyPWULGNDMRUVBRZ-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide (CID 54872115) is 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide is CCC(CC)N(CC(F)(F)F)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is PWULGNDMRUVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-11(4-2)18(10-13(14,15)16)12(19)8-6-5-7-9-17/h11H,3-10,17H2,1-2H3.
What are the key properties of 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide?
6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 282.35 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 54872115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).