dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)

C14H24N4NiO4+2 — CID 135472010

IUPACdihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)
SMILESCN(CCC[NH-])CCC/N=C/c1ccccc1O.O=[N+](O)O.[Ni+2]
InChIInChI=1S/C14H22N3O.H2NO3.Ni/c1-17(10-4-8-15)11-5-9-16-12-13-6-2-3-7-14(13)18;2-1(3)4;/h2-3,6-7,12,15,18H,4-5,8-11H2,1H3;(H2,2,3,4);/q-1;+1;+2/b16-12+;;
InChIKeyFEHAMNONPGWFMG-LPMXOWGUSA-N
MW371.06 g/mol
LogP2.12
Rot. Bonds8

About dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)

dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+) (PubChem CID 135472010) has the molecular formula C14H24N4NiO4+2 and a molecular weight of 371.06 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+).

Molecular Properties

Compound Namedihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)
PubChem CID135472010
Molecular FormulaC14H24N4NiO4+2
Molecular Weight371.06 g/mol
Exact Mass370.11
IUPAC Namedihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)
SMILESCN(CCC[NH-])CCC/N=C/c1ccccc1O.O=[N+](O)O.[Ni+2]
InChIInChI=1S/C14H22N3O.H2NO3.Ni/c1-17(10-4-8-15)11-5-9-16-12-13-6-2-3-7-14(13)18;2-1(3)4;/h2-3,6-7,12,15,18H,4-5,8-11H2,1H3;(H2,2,3,4);/q-1;+1;+2/b16-12+;;
InChIKeyFEHAMNONPGWFMG-LPMXOWGUSA-N
XLogP2.12
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.06
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

cobalt;tris(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol;iron;hydrate
CID 162275151
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-(3-methylselanylpropyliminomethyl)phenol
CID 136817271
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)?
The IUPAC name of dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+) (CID 135472010) is dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+).
What is the SMILES notation for dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)?
The canonical SMILES for dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+) is CN(CCC[NH-])CCC/N=C/c1ccccc1O.O=[N+](O)O.[Ni+2].
What is the InChIKey of dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)?
The InChIKey is FEHAMNONPGWFMG-LPMXOWGUSA-N. The full InChI is InChI=1S/C14H22N3O.H2NO3.Ni/c1-17(10-4-8-15)11-5-9-16-12-13-6-2-3-7-14(13)18;2-1(3)4;/h2-3,6-7,12,15,18H,4-5,8-11H2,1H3;(H2,2,3,4);/q-1;+1;+2/b16-12+;;.
What are the key properties of dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+)?
dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+) has a molecular weight of 371.06 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propylazanide;nickel(2+) is sourced from PubChem (CID 135472010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).