carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)

C51H111CoFe2NNi — CID 162293129

IUPACcarbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CN(C)CC1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Co+2].[Fe+2].[Fe+2].[Ni+2]
InChIInChI=1S/C8H17N.7C5H10.8CH3.Co.2Fe.Ni/c1-9(2)7-8-5-3-4-6-8;7*1-2-4-5-3-1;;;;;;;;;;;;/h8H,3-7H2,1-2H3;7*1-5H2;8*1H3;;;;/q;;;;;;;;8*-1;4*+2
InChIKeyZRLDLPGZZTUEJS-UHFFFAOYSA-N
MW967.77 g/mol
LogP18.98
Rot. Bonds2

About carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)

carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+) (PubChem CID 162293129) has the molecular formula C51H111CoFe2NNi and a molecular weight of 967.77 g/mol. Its IUPAC name is carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+).

Molecular Properties

Compound Namecarbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)
PubChem CID162293129
Molecular FormulaC51H111CoFe2NNi
Molecular Weight967.77 g/mol
Exact Mass966.61
IUPAC Namecarbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CN(C)CC1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Co+2].[Fe+2].[Fe+2].[Ni+2]
InChIInChI=1S/C8H17N.7C5H10.8CH3.Co.2Fe.Ni/c1-9(2)7-8-5-3-4-6-8;7*1-2-4-5-3-1;;;;;;;;;;;;/h8H,3-7H2,1-2H3;7*1-5H2;8*1H3;;;;/q;;;;;;;;8*-1;4*+2
InChIKeyZRLDLPGZZTUEJS-UHFFFAOYSA-N
XLogP18.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.77
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+) with MolForge

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Related Compounds

1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
N,N-dimethyl-1-(1-methylazepan-3-yl)methanamine
CID 121402940
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
N,N-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 139711377
N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
CID 146215533
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833

Frequently Asked Questions

What is the IUPAC name of carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)?
The IUPAC name of carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+) (CID 162293129) is carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+).
What is the SMILES notation for carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)?
The canonical SMILES for carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+) is C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CN(C)CC1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Co+2].[Fe+2].[Fe+2].[Ni+2].
What is the InChIKey of carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)?
The InChIKey is ZRLDLPGZZTUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.7C5H10.8CH3.Co.2Fe.Ni/c1-9(2)7-8-5-3-4-6-8;7*1-2-4-5-3-1;;;;;;;;;;;;/h8H,3-7H2,1-2H3;7*1-5H2;8*1H3;;;;/q;;;;;;;;8*-1;4*+2.
What are the key properties of carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)?
carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+) has a molecular weight of 967.77 g/mol, XLogP of 18.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+) is sourced from PubChem (CID 162293129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).