cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)

C26H46CoN6O2 — CID 88606230

IUPACcobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)
SMILESCCCNNC(NCCC)c1ccccc1O.CCCNNC(NCCC)c1ccccc1O.[Co]
InChIInChI=1S/2C13H23N3O.Co/c2*1-3-9-14-13(16-15-10-4-2)11-7-5-6-8-12(11)17;/h2*5-8,13-17H,3-4,9-10H2,1-2H3;
InChIKeyDNNTYUJIXOYMDU-UHFFFAOYSA-N
MW533.63 g/mol
LogP3.79
Rot. Bonds16

About cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)

cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol) (PubChem CID 88606230) has the molecular formula C26H46CoN6O2 and a molecular weight of 533.63 g/mol. Its IUPAC name is cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol).

Molecular Properties

Compound Namecobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)
PubChem CID88606230
Molecular FormulaC26H46CoN6O2
Molecular Weight533.63 g/mol
Exact Mass533.30
IUPAC Namecobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)
SMILESCCCNNC(NCCC)c1ccccc1O.CCCNNC(NCCC)c1ccccc1O.[Co]
InChIInChI=1S/2C13H23N3O.Co/c2*1-3-9-14-13(16-15-10-4-2)11-7-5-6-8-12(11)17;/h2*5-8,13-17H,3-4,9-10H2,1-2H3;
InChIKeyDNNTYUJIXOYMDU-UHFFFAOYSA-N
XLogP3.79
TPSA112.64 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 53.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
2-[1-(2-butoxyethylamino)ethyl]phenol
CID 61171435
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
[[2-[[[hydroxy(methyl)phosphoryl]-(2-hydroxyphenyl)methyl]amino]ethylamino]-(2-hydroxyphenyl)methyl]-methylphosphinic acid
CID 23422856
2-[1-[(1-propylcyclopropyl)methylamino]ethyl]phenol
CID 113383829
2-[1-(methylamino)propyl]phenol
CID 12862798
1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003795
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
CID 43283869
2-pent-1-en-3-ylphenol
CID 13031544
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
CID 105005378
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)?
The IUPAC name of cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol) (CID 88606230) is cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol).
What is the SMILES notation for cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)?
The canonical SMILES for cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol) is CCCNNC(NCCC)c1ccccc1O.CCCNNC(NCCC)c1ccccc1O.[Co].
What is the InChIKey of cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)?
The InChIKey is DNNTYUJIXOYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H23N3O.Co/c2*1-3-9-14-13(16-15-10-4-2)11-7-5-6-8-12(11)17;/h2*5-8,13-17H,3-4,9-10H2,1-2H3;.
What are the key properties of cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol)?
cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol) has a molecular weight of 533.63 g/mol, XLogP of 3.79, 16 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-[propylamino-(2-propylhydrazinyl)methyl]phenol) is sourced from PubChem (CID 88606230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).