butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc

C15H30F3N2Zn-3 — CID 168728711

IUPACbutan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
SMILESCCC(C)[N-]C(C)CC([N-]C(C)CC)C(F)(F)F.[CH2-]C.[Zn]
InChIInChI=1S/C13H25F3N2.C2H5.Zn/c1-6-9(3)17-11(5)8-12(13(14,15)16)18-10(4)7-2;1-2;/h9-12H,6-8H2,1-5H3;1H2,2H3;/q-2;-1;
InChIKeySSJFRJPBGIMEMK-UHFFFAOYSA-N
MW360.80 g/mol
LogP5.88
Rot. Bonds8

About butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc

butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc (PubChem CID 168728711) has the molecular formula C15H30F3N2Zn-3 and a molecular weight of 360.80 g/mol. Its IUPAC name is butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc.

Molecular Properties

Compound Namebutan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
PubChem CID168728711
Molecular FormulaC15H30F3N2Zn-3
Molecular Weight360.80 g/mol
Exact Mass359.17
IUPAC Namebutan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc
SMILESCCC(C)[N-]C(C)CC([N-]C(C)CC)C(F)(F)F.[CH2-]C.[Zn]
InChIInChI=1S/C13H25F3N2.C2H5.Zn/c1-6-9(3)17-11(5)8-12(13(14,15)16)18-10(4)7-2;1-2;/h9-12H,6-8H2,1-5H3;1H2,2H3;/q-2;-1;
InChIKeySSJFRJPBGIMEMK-UHFFFAOYSA-N
XLogP5.88
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 55.88
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'}

Analyze butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc with MolForge

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Related Compounds

butan-2-yl(4-butan-2-ylazanidylpentan-2-yl)azanide;carbanide;zinc
CID 168728760
bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel
CID 166057269
bis(methyl-(1,1,1-trifluoro-4-methylazanidylpentan-2-yl)azanide);nickel
CID 166057276
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
ethane;methyl(4-methylazanidylpentan-2-yl)azanide;zinc
CID 168728778
dicopper bis(butan-2-yl-[butan-2-ylazanidyl(dimethylamino)methyl]azanide)
CID 167345030
1,1,1-trifluoro-3-methylpentane
CID 21020397
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
3-methylpentane;zinc
CID 154150944
2-(1,1,1-trifluoropropan-2-yloxy)acetonitrile
CID 66276756

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc?
The IUPAC name of butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc (CID 168728711) is butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc.
What is the SMILES notation for butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc?
The canonical SMILES for butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc is CCC(C)[N-]C(C)CC([N-]C(C)CC)C(F)(F)F.[CH2-]C.[Zn].
What is the InChIKey of butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc?
The InChIKey is SSJFRJPBGIMEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2.C2H5.Zn/c1-6-9(3)17-11(5)8-12(13(14,15)16)18-10(4)7-2;1-2;/h9-12H,6-8H2,1-5H3;1H2,2H3;/q-2;-1;.
What are the key properties of butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc?
butan-2-yl-(4-butan-2-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc has a molecular weight of 360.80 g/mol, XLogP of 5.88, 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-ylazanidyl-1,1,1-trifluoropentan-2-yl)azanide;ethane;zinc is sourced from PubChem (CID 168728711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).