lithium (C,N-dimethylcarbonimidoyl)-methylazanide

C4H9LiN2 — CID 20660848

IUPAClithium (C,N-dimethylcarbonimidoyl)-methylazanide
SMILESC/N=C(\C)[N-]C.[Li+]
InChIInChI=1S/C4H9N2.Li/c1-4(5-2)6-3;/h1-3H3;/q-1;+1
InChIKeyKOCCESHXSJHCBD-UHFFFAOYSA-N
MW92.07 g/mol
LogP-1.96
Rot. Bonds

About lithium (C,N-dimethylcarbonimidoyl)-methylazanide

lithium (C,N-dimethylcarbonimidoyl)-methylazanide (PubChem CID 20660848) has the molecular formula C4H9LiN2 and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium (C,N-dimethylcarbonimidoyl)-methylazanide.

Molecular Properties

Compound Namelithium (C,N-dimethylcarbonimidoyl)-methylazanide
PubChem CID20660848
Molecular FormulaC4H9LiN2
Molecular Weight92.07 g/mol
Exact Mass92.09
IUPAC Namelithium (C,N-dimethylcarbonimidoyl)-methylazanide
SMILESC/N=C(\C)[N-]C.[Li+]
InChIInChI=1S/C4H9N2.Li/c1-4(5-2)6-3;/h1-3H3;/q-1;+1
InChIKeyKOCCESHXSJHCBD-UHFFFAOYSA-N
XLogP-1.96
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
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 (C,N-dimethylcarbonimidoyl)-methylazanide?
The IUPAC name of lithium (C,N-dimethylcarbonimidoyl)-methylazanide (CID 20660848) is lithium (C,N-dimethylcarbonimidoyl)-methylazanide.
What is the SMILES notation for lithium (C,N-dimethylcarbonimidoyl)-methylazanide?
The canonical SMILES for lithium (C,N-dimethylcarbonimidoyl)-methylazanide is C/N=C(\C)[N-]C.[Li+].
What is the InChIKey of lithium (C,N-dimethylcarbonimidoyl)-methylazanide?
The InChIKey is KOCCESHXSJHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2.Li/c1-4(5-2)6-3;/h1-3H3;/q-1;+1.
What are the key properties of lithium (C,N-dimethylcarbonimidoyl)-methylazanide?
lithium (C,N-dimethylcarbonimidoyl)-methylazanide has a molecular weight of 92.07 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (C,N-dimethylcarbonimidoyl)-methylazanide is sourced from PubChem (CID 20660848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).