lithium methanimidoylazanide

CH3LiN2 — CID 141177219

IUPAClithium methanimidoylazanide
SMILES[H]/N=C/[NH-].[Li+]
InChIInChI=1S/CH3N2.Li/c2-1-3;/h1H,(H2-,2,3);/q-1;+1
InChIKeyDHLUVEYMRAQFRI-UHFFFAOYSA-N
MW49.99 g/mol
LogP-2.35
Rot. Bonds

About lithium methanimidoylazanide

lithium methanimidoylazanide (PubChem CID 141177219) has the molecular formula CH3LiN2 and a molecular weight of 49.99 g/mol. Its IUPAC name is lithium methanimidoylazanide.

Molecular Properties

Compound Namelithium methanimidoylazanide
PubChem CID141177219
Molecular FormulaCH3LiN2
Molecular Weight49.99 g/mol
Exact Mass50.05
IUPAC Namelithium methanimidoylazanide
SMILES[H]/N=C/[NH-].[Li+]
InChIInChI=1S/CH3N2.Li/c2-1-3;/h1H,(H2-,2,3);/q-1;+1
InChIKeyDHLUVEYMRAQFRI-UHFFFAOYSA-N
XLogP-2.35
TPSA47.65 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50049.99
LogP ≤ 5-2.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium methanimidoylazanide?
The IUPAC name of lithium methanimidoylazanide (CID 141177219) is lithium methanimidoylazanide.
What is the SMILES notation for lithium methanimidoylazanide?
The canonical SMILES for lithium methanimidoylazanide is [H]/N=C/[NH-].[Li+].
What is the InChIKey of lithium methanimidoylazanide?
The InChIKey is DHLUVEYMRAQFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2.Li/c2-1-3;/h1H,(H2-,2,3);/q-1;+1.
What are the key properties of lithium methanimidoylazanide?
lithium methanimidoylazanide has a molecular weight of 49.99 g/mol, XLogP of -2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methanimidoylazanide is sourced from PubChem (CID 141177219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).