5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide

C14H21F3N2O — CID 70892604

IUPAC5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
SMILESCC1=C(C(F)(F)F)C=CC(NC(=O)CCCCN)C1C
InChIInChI=1S/C14H21F3N2O/c1-9-10(2)12(7-6-11(9)14(15,16)17)19-13(20)5-3-4-8-18/h6-7,10,12H,3-5,8,18H2,1-2H3,(H,19,20)
InChIKeyYXAZWBIZHBDIQL-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.68
Rot. Bonds5

About 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide

5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide (PubChem CID 70892604) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
PubChem CID70892604
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
SMILESCC1=C(C(F)(F)F)C=CC(NC(=O)CCCCN)C1C
InChIInChI=1S/C14H21F3N2O/c1-9-10(2)12(7-6-11(9)14(15,16)17)19-13(20)5-3-4-8-18/h6-7,10,12H,3-5,8,18H2,1-2H3,(H,19,20)
InChIKeyYXAZWBIZHBDIQL-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide 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 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide?
The IUPAC name of 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide (CID 70892604) is 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide?
The canonical SMILES for 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide is CC1=C(C(F)(F)F)C=CC(NC(=O)CCCCN)C1C.
What is the InChIKey of 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide?
The InChIKey is YXAZWBIZHBDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-9-10(2)12(7-6-11(9)14(15,16)17)19-13(20)5-3-4-8-18/h6-7,10,12H,3-5,8,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide?
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide has a molecular weight of 290.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide is sourced from PubChem (CID 70892604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).