1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)

C4H10N3Ni+3 — CID 175858505

IUPAC1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
SMILESCC(=[NH2+])/N=C(\C)N.[Ni+2]
InChIInChI=1S/C4H9N3.Ni/c1-3(5)7-4(2)6;/h1-2H3,(H3,5,6,7);/q;+2/p+1
InChIKeyJESYQSBIPQSMMM-UHFFFAOYSA-O
MW158.84 g/mol
LogP-1.46
Rot. Bonds

About 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)

1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+) (PubChem CID 175858505) has the molecular formula C4H10N3Ni+3 and a molecular weight of 158.84 g/mol. Its IUPAC name is 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+).

Molecular Properties

Compound Name1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
PubChem CID175858505
Molecular FormulaC4H10N3Ni+3
Molecular Weight158.84 g/mol
Exact Mass158.02
IUPAC Name1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
SMILESCC(=[NH2+])/N=C(\C)N.[Ni+2]
InChIInChI=1S/C4H9N3.Ni/c1-3(5)7-4(2)6;/h1-2H3,(H3,5,6,7);/q;+2/p+1
InChIKeyJESYQSBIPQSMMM-UHFFFAOYSA-O
XLogP-1.46
TPSA63.97 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.84
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)?
The IUPAC name of 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+) (CID 175858505) is 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+).
What is the SMILES notation for 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)?
The canonical SMILES for 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+) is CC(=[NH2+])/N=C(\C)N.[Ni+2].
What is the InChIKey of 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)?
The InChIKey is JESYQSBIPQSMMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N3.Ni/c1-3(5)7-4(2)6;/h1-2H3,(H3,5,6,7);/q;+2/p+1.
What are the key properties of 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)?
1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+) has a molecular weight of 158.84 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+) is sourced from PubChem (CID 175858505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).