lithium;azane;butane

C4H12LiN — CID 22988541

IUPAClithium;azane;butane
SMILESN.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.Li.H3N/c1-3-4-2;;/h1,3-4H2,2H3;;1H3/q-1;+1;
InChIKeyJKSBKNHKWGSINE-UHFFFAOYSA-N
MW81.09 g/mol
LogP-1.21
Rot. Bonds1

About lithium;azane;butane

lithium;azane;butane (PubChem CID 22988541) has the molecular formula C4H12LiN and a molecular weight of 81.09 g/mol. Its IUPAC name is lithium;azane;butane.

Molecular Properties

Compound Namelithium;azane;butane
PubChem CID22988541
Molecular FormulaC4H12LiN
Molecular Weight81.09 g/mol
Exact Mass81.11
IUPAC Namelithium;azane;butane
SMILESN.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.Li.H3N/c1-3-4-2;;/h1,3-4H2,2H3;;1H3/q-1;+1;
InChIKeyJKSBKNHKWGSINE-UHFFFAOYSA-N
XLogP-1.21
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.09
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;azane;butane?
The IUPAC name of lithium;azane;butane (CID 22988541) is lithium;azane;butane.
What is the SMILES notation for lithium;azane;butane?
The canonical SMILES for lithium;azane;butane is N.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;azane;butane?
The InChIKey is JKSBKNHKWGSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Li.H3N/c1-3-4-2;;/h1,3-4H2,2H3;;1H3/q-1;+1;.
What are the key properties of lithium;azane;butane?
lithium;azane;butane has a molecular weight of 81.09 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;azane;butane is sourced from PubChem (CID 22988541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).