nickel(2+);1,4,8,11-tetrazanidacyclopentadecane

C11H22N4Ni-2 — CID 50896977

IUPACnickel(2+);1,4,8,11-tetrazanidacyclopentadecane
SMILESC1CC[N-]CC[N-]CCC[N-]CC[N-]C1.[Ni+2]
InChIInChI=1S/C11H22N4.Ni/c1-2-5-13-9-11-15-7-3-6-14-10-8-12-4-1;/h1-11H2;/q-4;+2
InChIKeyDWHNJGXUBSJYBG-UHFFFAOYSA-N
MW269.02 g/mol
LogP2.66
Rot. Bonds

About nickel(2+);1,4,8,11-tetrazanidacyclopentadecane

nickel(2+);1,4,8,11-tetrazanidacyclopentadecane (PubChem CID 50896977) has the molecular formula C11H22N4Ni-2 and a molecular weight of 269.02 g/mol. Its IUPAC name is nickel(2+);1,4,8,11-tetrazanidacyclopentadecane.

Molecular Properties

Compound Namenickel(2+);1,4,8,11-tetrazanidacyclopentadecane
PubChem CID50896977
Molecular FormulaC11H22N4Ni-2
Molecular Weight269.02 g/mol
Exact Mass268.12
IUPAC Namenickel(2+);1,4,8,11-tetrazanidacyclopentadecane
SMILESC1CC[N-]CC[N-]CCC[N-]CC[N-]C1.[Ni+2]
InChIInChI=1S/C11H22N4.Ni/c1-2-5-13-9-11-15-7-3-6-14-10-8-12-4-1;/h1-11H2;/q-4;+2
InChIKeyDWHNJGXUBSJYBG-UHFFFAOYSA-N
XLogP2.66
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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carbanide;piperidin-1-ide;titanium(3+)
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carbon monoxide;chromium(6+);pyrrolidin-1-ide
CID 4210612
bis(nickel(2+));6-[2-(1,4,8,11-tetrazanidacyclotetradec-6-yl)ethyl]-1,4,8,11-tetrazanidacyclotetradecane
CID 50896978
bis(piperidin-1-ide);trichlororhodium
CID 54604493
difluorozirconium(2+);bis(piperidin-1-ide)
CID 173243334
chromium(3+);propane;1,4,8,12-tetrazanidacyclopentadecane;hydrate
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cobalt;bis(piperidin-1-ide);diisothiocyanate
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Frequently Asked Questions

What is the IUPAC name of nickel(2+);1,4,8,11-tetrazanidacyclopentadecane?
The IUPAC name of nickel(2+);1,4,8,11-tetrazanidacyclopentadecane (CID 50896977) is nickel(2+);1,4,8,11-tetrazanidacyclopentadecane.
What is the SMILES notation for nickel(2+);1,4,8,11-tetrazanidacyclopentadecane?
The canonical SMILES for nickel(2+);1,4,8,11-tetrazanidacyclopentadecane is C1CC[N-]CC[N-]CCC[N-]CC[N-]C1.[Ni+2].
What is the InChIKey of nickel(2+);1,4,8,11-tetrazanidacyclopentadecane?
The InChIKey is DWHNJGXUBSJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4.Ni/c1-2-5-13-9-11-15-7-3-6-14-10-8-12-4-1;/h1-11H2;/q-4;+2.
What are the key properties of nickel(2+);1,4,8,11-tetrazanidacyclopentadecane?
nickel(2+);1,4,8,11-tetrazanidacyclopentadecane has a molecular weight of 269.02 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);1,4,8,11-tetrazanidacyclopentadecane is sourced from PubChem (CID 50896977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).