6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid

C18H29N3O3 — CID 57274088

IUPAC6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid
SMILESO=C(O)CCCCCONC(Cn1ccnc1)=C1CCCCCC1
InChIInChI=1S/C18H29N3O3/c22-18(23)10-6-3-7-13-24-20-17(14-21-12-11-19-15-21)16-8-4-1-2-5-9-16/h11-12,15,20H,1-10,13-14H2,(H,22,23)
InChIKeyQQVFLZNJDINZLN-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.66
Rot. Bonds10

About 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid

6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid (PubChem CID 57274088) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid.

Molecular Properties

Compound Name6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid
PubChem CID57274088
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid
SMILESO=C(O)CCCCCONC(Cn1ccnc1)=C1CCCCCC1
InChIInChI=1S/C18H29N3O3/c22-18(23)10-6-3-7-13-24-20-17(14-21-12-11-19-15-21)16-8-4-1-2-5-9-16/h11-12,15,20H,1-10,13-14H2,(H,22,23)
InChIKeyQQVFLZNJDINZLN-UHFFFAOYSA-N
XLogP3.66
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid?
The IUPAC name of 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid (CID 57274088) is 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid.
What is the SMILES notation for 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid?
The canonical SMILES for 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid is O=C(O)CCCCCONC(Cn1ccnc1)=C1CCCCCC1.
What is the InChIKey of 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid?
The InChIKey is QQVFLZNJDINZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c22-18(23)10-6-3-7-13-24-20-17(14-21-12-11-19-15-21)16-8-4-1-2-5-9-16/h11-12,15,20H,1-10,13-14H2,(H,22,23).
What are the key properties of 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid?
6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid has a molecular weight of 335.45 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid is sourced from PubChem (CID 57274088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).