6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide

C13H23F3N2O — CID 43712731

IUPAC6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
SMILESNCCCCCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-6-3-4-7-11(10)18-12(19)8-2-1-5-9-17/h10-11H,1-9,17H2,(H,18,19)
InChIKeyYBZPPUKPKUBDQJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds6

About 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide

6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide (PubChem CID 43712731) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
PubChem CID43712731
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
SMILESNCCCCCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-6-3-4-7-11(10)18-12(19)8-2-1-5-9-17/h10-11H,1-9,17H2,(H,18,19)
InChIKeyYBZPPUKPKUBDQJ-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180
2-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119334193
3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 95153501
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
N'-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 64759304
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
2-piperidin-4-yloxy-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 63876723
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
6-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)hexanamide
CID 43710195
7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
CID 119729134

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide (CID 43712731) is 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide is NCCCCCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide?
The InChIKey is YBZPPUKPKUBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-6-3-4-7-11(10)18-12(19)8-2-1-5-9-17/h10-11H,1-9,17H2,(H,18,19).
What are the key properties of 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide?
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide has a molecular weight of 280.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide is sourced from PubChem (CID 43712731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).