carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide

C7H14NNi — CID 59157020

IUPACcarbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide
SMILES[CH3-].[H]/[C-]=C(\C)[N-]C(C)C.[Ni+3]
InChIInChI=1S/C6H11N.CH3.Ni/c1-5(2)7-6(3)4;;/h1,6H,2-4H3;1H3;/q-2;-1;+3
InChIKeyZLNRBJCGSFTRRU-UHFFFAOYSA-N
MW170.89 g/mol
LogP2.55
Rot. Bonds2

About carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide

carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide (PubChem CID 59157020) has the molecular formula C7H14NNi and a molecular weight of 170.89 g/mol. Its IUPAC name is carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide.

Molecular Properties

Compound Namecarbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide
PubChem CID59157020
Molecular FormulaC7H14NNi
Molecular Weight170.89 g/mol
Exact Mass170.05
IUPAC Namecarbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide
SMILES[CH3-].[H]/[C-]=C(\C)[N-]C(C)C.[Ni+3]
InChIInChI=1S/C6H11N.CH3.Ni/c1-5(2)7-6(3)4;;/h1,6H,2-4H3;1H3;/q-2;-1;+3
InChIKeyZLNRBJCGSFTRRU-UHFFFAOYSA-N
XLogP2.55
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.89
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide?
The IUPAC name of carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide (CID 59157020) is carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide.
What is the SMILES notation for carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide?
The canonical SMILES for carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide is [CH3-].[H]/[C-]=C(\C)[N-]C(C)C.[Ni+3].
What is the InChIKey of carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide?
The InChIKey is ZLNRBJCGSFTRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.CH3.Ni/c1-5(2)7-6(3)4;;/h1,6H,2-4H3;1H3;/q-2;-1;+3.
What are the key properties of carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide?
carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide has a molecular weight of 170.89 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide is sourced from PubChem (CID 59157020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).