lithium cyanamide

CH2LiN2+ — CID 21431940

IUPAClithium cyanamide
SMILESN#CN.[Li+]
InChIInChI=1S/CH2N2.Li/c2-1-3;/h2H2;/q;+1
InChIKeySPEGAAOYOAVLCD-UHFFFAOYSA-N
MW48.98 g/mol
LogP-3.57
Rot. Bonds

About lithium cyanamide

lithium cyanamide (PubChem CID 21431940) has the molecular formula CH2LiN2+ and a molecular weight of 48.98 g/mol. Its IUPAC name is lithium cyanamide.

Molecular Properties

Compound Namelithium cyanamide
PubChem CID21431940
Molecular FormulaCH2LiN2+
Molecular Weight48.98 g/mol
Exact Mass49.04
IUPAC Namelithium cyanamide
SMILESN#CN.[Li+]
InChIInChI=1S/CH2N2.Li/c2-1-3;/h2H2;/q;+1
InChIKeySPEGAAOYOAVLCD-UHFFFAOYSA-N
XLogP-3.57
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50048.98
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

CID 88512913
CID 88512913
strontium cyanamide
CID 22399917
cyanamide;titanium
CID 172844967
disodium;cyanamide
CID 3015093
cyanamide;phosphane
CID 87330007
potassium;cyanamide;hydron
CID 173042176
CID 87440008
CID 87440008
calcium;cyanamide;hydride
CID 175350827
magnesium;cyanamide;hydride
CID 173213392
NCN radical
CID 5384683
cyanamide;nitrous acid
CID 174714431
cyanamide;piperazine
CID 87191192

Frequently Asked Questions

What is the IUPAC name of lithium cyanamide?
The IUPAC name of lithium cyanamide (CID 21431940) is lithium cyanamide.
What is the SMILES notation for lithium cyanamide?
The canonical SMILES for lithium cyanamide is N#CN.[Li+].
What is the InChIKey of lithium cyanamide?
The InChIKey is SPEGAAOYOAVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.Li/c2-1-3;/h2H2;/q;+1.
What are the key properties of lithium cyanamide?
lithium cyanamide has a molecular weight of 48.98 g/mol, XLogP of -3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyanamide is sourced from PubChem (CID 21431940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).