6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid

C17H27N3O3 — CID 15191807

IUPAC6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid
SMILESO=C(O)CCCCCO/N=C(/Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C17H27N3O3/c21-17(22)9-5-2-6-12-23-19-16(13-20-11-10-18-14-20)15-7-3-1-4-8-15/h10-11,14-15H,1-9,12-13H2,(H,21,22)/b19-16-
InChIKeySIHUESYHNPVKJK-MNDPQUGUSA-N
MW321.42 g/mol
LogP3.48
Rot. Bonds10

About 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid

6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid (PubChem CID 15191807) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid.

Molecular Properties

Compound Name6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid
PubChem CID15191807
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid
SMILESO=C(O)CCCCCO/N=C(/Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C17H27N3O3/c21-17(22)9-5-2-6-12-23-19-16(13-20-11-10-18-14-20)15-7-3-1-4-8-15/h10-11,14-15H,1-9,12-13H2,(H,21,22)/b19-16-
InChIKeySIHUESYHNPVKJK-MNDPQUGUSA-N
XLogP3.48
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid 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-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
The IUPAC name of 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid (CID 15191807) is 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid.
What is the SMILES notation for 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
The canonical SMILES for 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid is O=C(O)CCCCCO/N=C(/Cn1ccnc1)C1CCCCC1.
What is the InChIKey of 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
The InChIKey is SIHUESYHNPVKJK-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-17(22)9-5-2-6-12-23-19-16(13-20-11-10-18-14-20)15-7-3-1-4-8-15/h10-11,14-15H,1-9,12-13H2,(H,21,22)/b19-16-.
What are the key properties of 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid has a molecular weight of 321.42 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid is sourced from PubChem (CID 15191807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).