4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)

C11H22NY — CID 21040191

IUPAC4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)
SMILESCC(C)(C)[CH-]CC=[N-].C[C-](C)C.[Y+3]
InChIInChI=1S/C7H13N.C4H9.Y/c1-7(2,3)5-4-6-8;1-4(2)3;/h5-6H,4H2,1-3H3;1-3H3;/q-2;-1;+3
InChIKeyVKQPZOWMNDPEIP-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.89
Rot. Bonds2

About 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)

4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+) (PubChem CID 21040191) has the molecular formula C11H22NY and a molecular weight of 257.21 g/mol. Its IUPAC name is 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+).

Molecular Properties

Compound Name4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)
PubChem CID21040191
Molecular FormulaC11H22NY
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)
SMILESCC(C)(C)[CH-]CC=[N-].C[C-](C)C.[Y+3]
InChIInChI=1S/C7H13N.C4H9.Y/c1-7(2,3)5-4-6-8;1-4(2)3;/h5-6H,4H2,1-3H3;1-3H3;/q-2;-1;+3
InChIKeyVKQPZOWMNDPEIP-UHFFFAOYSA-N
XLogP3.89
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)?
The IUPAC name of 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+) (CID 21040191) is 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+).
What is the SMILES notation for 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)?
The canonical SMILES for 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+) is CC(C)(C)[CH-]CC=[N-].C[C-](C)C.[Y+3].
What is the InChIKey of 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)?
The InChIKey is VKQPZOWMNDPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C4H9.Y/c1-7(2,3)5-4-6-8;1-4(2)3;/h5-6H,4H2,1-3H3;1-3H3;/q-2;-1;+3.
What are the key properties of 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+)?
4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+) has a molecular weight of 257.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentylideneazanide;2-methylpropane;yttrium(3+) is sourced from PubChem (CID 21040191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).