butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc

C14H31N2Zn-3 — CID 168728760

IUPACbutan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc
SMILESCCC(C)[N-]C(C)CC(C)[N-]C(C)CC.[CH3-].[Zn]
InChIInChI=1S/C13H28N2.CH3.Zn/c1-7-10(3)14-12(5)9-13(6)15-11(4)8-2;;/h10-13H,7-9H2,1-6H3;1H3;/q-2;-1;
InChIKeyWTRDGEWWYZOSOS-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.95
Rot. Bonds8

About butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc

butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc (PubChem CID 168728760) has the molecular formula C14H31N2Zn-3 and a molecular weight of 292.81 g/mol. Its IUPAC name is butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc.

Molecular Properties

Compound Namebutan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc
PubChem CID168728760
Molecular FormulaC14H31N2Zn-3
Molecular Weight292.81 g/mol
Exact Mass291.18
IUPAC Namebutan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc
SMILESCCC(C)[N-]C(C)CC(C)[N-]C(C)CC.[CH3-].[Zn]
InChIInChI=1S/C13H28N2.CH3.Zn/c1-7-10(3)14-12(5)9-13(6)15-11(4)8-2;;/h10-13H,7-9H2,1-6H3;1H3;/q-2;-1;
InChIKeyWTRDGEWWYZOSOS-UHFFFAOYSA-N
XLogP4.95
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.95
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

butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
CID 168728711
butan-2-yl(1-propan-2-ylazanidylethyl)azanide;carbanide;yttrium
CID 167346325
dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)
CID 167345030
bis(methyl(4-methylazanidylpentan-2-yl)azanide);zinc
CID 166057289
ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
CID 168728778
lithium ethyl(4-ethylazanidylpentan-2-yl)azanide
CID 59319218
bis(diethylazanide);bis(methyl(4-methylazanidylpentan-2-yl)azanide);zirconium
CID 5252145
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
butan-2-ylaluminum(2+) dichloride
CID 18763964
bis(butan-2-ol);carbanide;tantalum
CID 22416357
3,5-dimethylheptane;ethane
CID 172617343

Frequently Asked Questions

What is the IUPAC name of butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc?
The IUPAC name of butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc (CID 168728760) is butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc.
What is the SMILES notation for butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc?
The canonical SMILES for butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc is CCC(C)[N-]C(C)CC(C)[N-]C(C)CC.[CH3-].[Zn].
What is the InChIKey of butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc?
The InChIKey is WTRDGEWWYZOSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.CH3.Zn/c1-7-10(3)14-12(5)9-13(6)15-11(4)8-2;;/h10-13H,7-9H2,1-6H3;1H3;/q-2;-1;.
What are the key properties of butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc?
butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc has a molecular weight of 292.81 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc is sourced from PubChem (CID 168728760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).