propane;propan-2-yliminomethylidenenickel

C7H14NNi- — CID 59863975

IUPACpropane;propan-2-yliminomethylidenenickel
SMILESCC(C)N=C=[Ni].[CH2-]CC
InChIInChI=1S/C4H7N.C3H7.Ni/c1-4(2)5-3;1-3-2;/h4H,1-2H3;1,3H2,2H3;/q;-1;
InChIKeyJCMOFAKNQYKQAZ-UHFFFAOYSA-N
MW170.89 g/mol
LogP2.08
Rot. Bonds1

About propane;propan-2-yliminomethylidenenickel

propane;propan-2-yliminomethylidenenickel (PubChem CID 59863975) has the molecular formula C7H14NNi- and a molecular weight of 170.89 g/mol. Its IUPAC name is propane;propan-2-yliminomethylidenenickel.

Molecular Properties

Compound Namepropane;propan-2-yliminomethylidenenickel
PubChem CID59863975
Molecular FormulaC7H14NNi-
Molecular Weight170.89 g/mol
Exact Mass170.05
IUPAC Namepropane;propan-2-yliminomethylidenenickel
SMILESCC(C)N=C=[Ni].[CH2-]CC
InChIInChI=1S/C4H7N.C3H7.Ni/c1-4(2)5-3;1-3-2;/h4H,1-2H3;1,3H2,2H3;/q;-1;
InChIKeyJCMOFAKNQYKQAZ-UHFFFAOYSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.89
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane;propan-2-yliminomethylidenenickel?
The IUPAC name of propane;propan-2-yliminomethylidenenickel (CID 59863975) is propane;propan-2-yliminomethylidenenickel.
What is the SMILES notation for propane;propan-2-yliminomethylidenenickel?
The canonical SMILES for propane;propan-2-yliminomethylidenenickel is CC(C)N=C=[Ni].[CH2-]CC.
What is the InChIKey of propane;propan-2-yliminomethylidenenickel?
The InChIKey is JCMOFAKNQYKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.C3H7.Ni/c1-4(2)5-3;1-3-2;/h4H,1-2H3;1,3H2,2H3;/q;-1;.
What are the key properties of propane;propan-2-yliminomethylidenenickel?
propane;propan-2-yliminomethylidenenickel has a molecular weight of 170.89 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propan-2-yliminomethylidenenickel is sourced from PubChem (CID 59863975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).