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

C17H27N3O3 — CID 11723604

IUPAC6-[(Z)-(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-KNTRCKAVSA-N
MW321.42 g/mol
LogP3.48
Rot. Bonds10

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

6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid (PubChem CID 11723604) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid.

Molecular Properties

Compound Name6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid
PubChem CID11723604
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name6-[(Z)-(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-KNTRCKAVSA-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'}

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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
5-[1-Imidazol-1-ylmethyl-hept-(E)-ylideneaminooxy]-pentanoic acid
CID 10018213
5-[1-Cyclohexyl-2-imidazol-1-yl-eth-(E)-ylideneaminooxy]-pentanoic acid
CID 10244703
5-[1-Cyclohexyl-2-imidazol-1-yl-eth-(Z)-ylideneaminooxy]-pentanoic acid
CID 10244704
5-[1-Imidazol-1-ylmethyl-hept-(Z)-ylideneaminooxy]-pentanoic acid
CID 10448061
8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
1-(6-Imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 12870429
1-(7-Carboxy-7-hydroxymethylheptyl)imidazole hydrochloride
CID 12870433
8-Imidazol-1-yl-8-methylnonanoic acid;hydrochloride
CID 12870496
8-Imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316
12-(1H-imidazol-1-yl)dodecanoic acid
CID 12803318

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
The IUPAC name of 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid (CID 11723604) is 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid.
What is the SMILES notation for 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
The canonical SMILES for 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid is O=C(O)CCCCCO/N=C(\Cn1ccnc1)C1CCCCC1.
What is the InChIKey of 6-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
The InChIKey is SIHUESYHNPVKJK-KNTRCKAVSA-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-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid?
6-[(Z)-(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-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxyhexanoic acid is sourced from PubChem (CID 11723604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).