2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt

C17H28CoN2O — CID 175001067

IUPAC2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
SMILESCC(C)(C)c1cc(/C=N/CCN)c(O)c(C(C)(C)C)c1.[Co]
InChIInChI=1S/C17H28N2O.Co/c1-16(2,3)13-9-12(11-19-8-7-18)15(20)14(10-13)17(4,5)6;/h9-11,20H,7-8,18H2,1-6H3;/b19-11+;
InChIKeyJTACKHZCVZJEBW-YLFUTEQJSA-N
MW335.36 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt

2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt (PubChem CID 175001067) has the molecular formula C17H28CoN2O and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt.

Molecular Properties

Compound Name2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
PubChem CID175001067
Molecular FormulaC17H28CoN2O
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
SMILESCC(C)(C)c1cc(/C=N/CCN)c(O)c(C(C)(C)C)c1.[Co]
InChIInChI=1S/C17H28N2O.Co/c1-16(2,3)13-9-12(11-19-8-7-18)15(20)14(10-13)17(4,5)6;/h9-11,20H,7-8,18H2,1-6H3;/b19-11+;
InChIKeyJTACKHZCVZJEBW-YLFUTEQJSA-N
XLogP3.36
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 173215314
CID 173215314
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
CID 136835563
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
CID 136790281
2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136814344
CID 173199978
CID 173199978
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
CID 136835032
(2R)-2,3-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 139161245
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193
CID 135424911
CID 135424911
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248
2,4-ditert-butyl-6-[2-[(2-hydroxy-3,5-diiodophenyl)methyl-methylamino]ethyliminomethyl]phenol
CID 136703027

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt?
The IUPAC name of 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt (CID 175001067) is 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt.
What is the SMILES notation for 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt?
The canonical SMILES for 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt is CC(C)(C)c1cc(/C=N/CCN)c(O)c(C(C)(C)C)c1.[Co].
What is the InChIKey of 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt?
The InChIKey is JTACKHZCVZJEBW-YLFUTEQJSA-N. The full InChI is InChI=1S/C17H28N2O.Co/c1-16(2,3)13-9-12(11-19-8-7-18)15(20)14(10-13)17(4,5)6;/h9-11,20H,7-8,18H2,1-6H3;/b19-11+;.
What are the key properties of 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt?
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt has a molecular weight of 335.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt is sourced from PubChem (CID 175001067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).