ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc

C9H21N2Zn-3 — CID 168728778

IUPACethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
SMILESC[N-]C(C)CC(C)[N-]C.[CH2-]C.[Zn]
InChIInChI=1S/C7H16N2.C2H5.Zn/c1-6(8-3)5-7(2)9-4;1-2;/h6-7H,5H2,1-4H3;1H2,2H3;/q-2;-1;
InChIKeyXWWWLGDZTHBBAR-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.00
Rot. Bonds4

About ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc

ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc (PubChem CID 168728778) has the molecular formula C9H21N2Zn-3 and a molecular weight of 222.67 g/mol. Its IUPAC name is ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc.

Molecular Properties

Compound Nameethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
PubChem CID168728778
Molecular FormulaC9H21N2Zn-3
Molecular Weight222.67 g/mol
Exact Mass221.10
IUPAC Nameethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
SMILESC[N-]C(C)CC(C)[N-]C.[CH2-]C.[Zn]
InChIInChI=1S/C7H16N2.C2H5.Zn/c1-6(8-3)5-7(2)9-4;1-2;/h6-7H,5H2,1-4H3;1H2,2H3;/q-2;-1;
InChIKeyXWWWLGDZTHBBAR-UHFFFAOYSA-N
XLogP3.00
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(methyl(4-methylazanidylpentan-2-yl)azanide);zinc
CID 166057289
bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium
CID 5252145
bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel
CID 166057276
butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc
CID 168728760
lithium ethyl(4-ethylazanidylpentan-2-yl)azanide
CID 59319218
bis(methyl(propan-2-yl)azanide);tungsten(2+)
CID 175494031
butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
CID 168728711
lanthanum(3+);methyl-[1-[methyl(2-methylazanidylpropyl)amino]propan-2-yl]azanide;methyl(trimethylsilyl)azanide
CID 161324446
aluminum;dimethylazanide;bis(2-methanidylpropane)
CID 15977879
2-methanidylpropane;tungsten
CID 166592689
carbanide;ethane;zinc
CID 159908247
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc?
The IUPAC name of ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc (CID 168728778) is ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc.
What is the SMILES notation for ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc?
The canonical SMILES for ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc is C[N-]C(C)CC(C)[N-]C.[CH2-]C.[Zn].
What is the InChIKey of ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc?
The InChIKey is XWWWLGDZTHBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H5.Zn/c1-6(8-3)5-7(2)9-4;1-2;/h6-7H,5H2,1-4H3;1H2,2H3;/q-2;-1;.
What are the key properties of ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc?
ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc has a molecular weight of 222.67 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc is sourced from PubChem (CID 168728778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).