cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol

C21H27CoN3O2 — CID 135404124

IUPACcobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
SMILESCN(CCC/N=C/c1ccccc1O)CCC/N=C/c1ccccc1O.[Co]
InChIInChI=1S/C21H27N3O2.Co/c1-24(14-6-12-22-16-18-8-2-4-10-20(18)25)15-7-13-23-17-19-9-3-5-11-21(19)26;/h2-5,8-11,16-17,25-26H,6-7,12-15H2,1H3;/b22-16+,23-17+;
InChIKeyROYMMTUICCHINZ-VLQAMQNLSA-N
MW412.40 g/mol
LogP3.35
Rot. Bonds10

About cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol

cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol (PubChem CID 135404124) has the molecular formula C21H27CoN3O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol.

Molecular Properties

Compound Namecobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
PubChem CID135404124
Molecular FormulaC21H27CoN3O2
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Namecobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
SMILESCN(CCC/N=C/c1ccccc1O)CCC/N=C/c1ccccc1O.[Co]
InChIInChI=1S/C21H27N3O2.Co/c1-24(14-6-12-22-16-18-8-2-4-10-20(18)25)15-7-13-23-17-19-9-3-5-11-21(19)26;/h2-5,8-11,16-17,25-26H,6-7,12-15H2,1H3;/b22-16+,23-17+;
InChIKeyROYMMTUICCHINZ-VLQAMQNLSA-N
XLogP3.35
TPSA68.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol 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 cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol?
The IUPAC name of cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol (CID 135404124) is cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol.
What is the SMILES notation for cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol?
The canonical SMILES for cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol is CN(CCC/N=C/c1ccccc1O)CCC/N=C/c1ccccc1O.[Co].
What is the InChIKey of cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol?
The InChIKey is ROYMMTUICCHINZ-VLQAMQNLSA-N. The full InChI is InChI=1S/C21H27N3O2.Co/c1-24(14-6-12-22-16-18-8-2-4-10-20(18)25)15-7-13-23-17-19-9-3-5-11-21(19)26;/h2-5,8-11,16-17,25-26H,6-7,12-15H2,1H3;/b22-16+,23-17+;.
What are the key properties of cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol?
cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol has a molecular weight of 412.40 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol is sourced from PubChem (CID 135404124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).