5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide

C14H23F3N2O — CID 89153913

IUPAC5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
SMILESC=C(C)C(C/C=C(\C)C(F)(F)F)NC(=O)CCCCN
InChIInChI=1S/C14H23F3N2O/c1-10(2)12(8-7-11(3)14(15,16)17)19-13(20)6-4-5-9-18/h7,12H,1,4-6,8-9,18H2,2-3H3,(H,19,20)/b11-7+
InChIKeyKBRLRVGVTSYBKF-YRNVUSSQSA-N
MW292.35 g/mol
LogP3.08
Rot. Bonds8

About 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide

5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide (PubChem CID 89153913) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
PubChem CID89153913
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
SMILESC=C(C)C(C/C=C(\C)C(F)(F)F)NC(=O)CCCCN
InChIInChI=1S/C14H23F3N2O/c1-10(2)12(8-7-11(3)14(15,16)17)19-13(20)6-4-5-9-18/h7,12H,1,4-6,8-9,18H2,2-3H3,(H,19,20)/b11-7+
InChIKeyKBRLRVGVTSYBKF-YRNVUSSQSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-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-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide?
The IUPAC name of 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide (CID 89153913) is 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide?
The canonical SMILES for 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide is C=C(C)C(C/C=C(\C)C(F)(F)F)NC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide?
The InChIKey is KBRLRVGVTSYBKF-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-10(2)12(8-7-11(3)14(15,16)17)19-13(20)6-4-5-9-18/h7,12H,1,4-6,8-9,18H2,2-3H3,(H,19,20)/b11-7+.
What are the key properties of 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide?
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide has a molecular weight of 292.35 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide is sourced from PubChem (CID 89153913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).