bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel

C18H34F6N4Ni-4 — CID 166057269

IUPACbis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel
SMILESCC[N-]C(C)CC([N-]CC)C(F)(F)F.CC[N-]C(C)CC([N-]CC)C(F)(F)F.[Ni]
InChIInChI=1S/2C9H17F3N2.Ni/c2*1-4-13-7(3)6-8(14-5-2)9(10,11)12;/h2*7-8H,4-6H2,1-3H3;/q2*-2;
InChIKeyZYLIPKIKVQSUPR-UHFFFAOYSA-N
MW479.18 g/mol
LogP6.96
Rot. Bonds12

About bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel

bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel (PubChem CID 166057269) has the molecular formula C18H34F6N4Ni-4 and a molecular weight of 479.18 g/mol. Its IUPAC name is bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel.

Molecular Properties

Compound Namebis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel
PubChem CID166057269
Molecular FormulaC18H34F6N4Ni-4
Molecular Weight479.18 g/mol
Exact Mass478.21
IUPAC Namebis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel
SMILESCC[N-]C(C)CC([N-]CC)C(F)(F)F.CC[N-]C(C)CC([N-]CC)C(F)(F)F.[Ni]
InChIInChI=1S/2C9H17F3N2.Ni/c2*1-4-13-7(3)6-8(14-5-2)9(10,11)12;/h2*7-8H,4-6H2,1-3H3;/q2*-2;
InChIKeyZYLIPKIKVQSUPR-UHFFFAOYSA-N
XLogP6.96
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.18
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel
CID 166057276
butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
CID 168728711
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
ethyl(trifluoromethyl)azanide
CID 154088294
N,2-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 123617319
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
1,1,1-trifluoro-3-methylpentane
CID 21020397
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673

Frequently Asked Questions

What is the IUPAC name of bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel?
The IUPAC name of bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel (CID 166057269) is bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel.
What is the SMILES notation for bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel?
The canonical SMILES for bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel is CC[N-]C(C)CC([N-]CC)C(F)(F)F.CC[N-]C(C)CC([N-]CC)C(F)(F)F.[Ni].
What is the InChIKey of bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel?
The InChIKey is ZYLIPKIKVQSUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17F3N2.Ni/c2*1-4-13-7(3)6-8(14-5-2)9(10,11)12;/h2*7-8H,4-6H2,1-3H3;/q2*-2;.
What are the key properties of bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel?
bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel has a molecular weight of 479.18 g/mol, XLogP of 6.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel is sourced from PubChem (CID 166057269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).