lithium 2-methanidylbutane

C5H11Li — CID 12602290

IUPAClithium 2-methanidylbutane
SMILES[CH2-]C(C)CC.[Li+]
InChIInChI=1S/C5H11.Li/c1-4-5(2)3;/h5H,2,4H2,1,3H3;/q-1;+1
InChIKeyZZBJHYICONGREL-UHFFFAOYSA-N
MW78.08 g/mol
LogP-1.13
Rot. Bonds1

About lithium 2-methanidylbutane

lithium 2-methanidylbutane (PubChem CID 12602290) has the molecular formula C5H11Li and a molecular weight of 78.08 g/mol. Its IUPAC name is lithium 2-methanidylbutane.

Molecular Properties

Compound Namelithium 2-methanidylbutane
PubChem CID12602290
Molecular FormulaC5H11Li
Molecular Weight78.08 g/mol
Exact Mass78.10
IUPAC Namelithium 2-methanidylbutane
SMILES[CH2-]C(C)CC.[Li+]
InChIInChI=1S/C5H11.Li/c1-4-5(2)3;/h5H,2,4H2,1,3H3;/q-1;+1
InChIKeyZZBJHYICONGREL-UHFFFAOYSA-N
XLogP-1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.08
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methanidylbutane?
The IUPAC name of lithium 2-methanidylbutane (CID 12602290) is lithium 2-methanidylbutane.
What is the SMILES notation for lithium 2-methanidylbutane?
The canonical SMILES for lithium 2-methanidylbutane is [CH2-]C(C)CC.[Li+].
What is the InChIKey of lithium 2-methanidylbutane?
The InChIKey is ZZBJHYICONGREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.Li/c1-4-5(2)3;/h5H,2,4H2,1,3H3;/q-1;+1.
What are the key properties of lithium 2-methanidylbutane?
lithium 2-methanidylbutane has a molecular weight of 78.08 g/mol, XLogP of -1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methanidylbutane is sourced from PubChem (CID 12602290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).