lithium 2-methylbutan-2-ylazanide

C5H12LiN — CID 23671726

IUPAClithium 2-methylbutan-2-ylazanide
SMILESCCC(C)(C)[NH-].[Li+]
InChIInChI=1S/C5H12N.Li/c1-4-5(2,3)6;/h6H,4H2,1-3H3;/q-1;+1
InChIKeyDCDGRPWOFIJPJR-UHFFFAOYSA-N
MW93.10 g/mol
LogP-0.77
Rot. Bonds1

About lithium 2-methylbutan-2-ylazanide

lithium 2-methylbutan-2-ylazanide (PubChem CID 23671726) has the molecular formula C5H12LiN and a molecular weight of 93.10 g/mol. Its IUPAC name is lithium 2-methylbutan-2-ylazanide.

Molecular Properties

Compound Namelithium 2-methylbutan-2-ylazanide
PubChem CID23671726
Molecular FormulaC5H12LiN
Molecular Weight93.10 g/mol
Exact Mass93.11
IUPAC Namelithium 2-methylbutan-2-ylazanide
SMILESCCC(C)(C)[NH-].[Li+]
InChIInChI=1S/C5H12N.Li/c1-4-5(2,3)6;/h6H,4H2,1-3H3;/q-1;+1
InChIKeyDCDGRPWOFIJPJR-UHFFFAOYSA-N
XLogP-0.77
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.10
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methylbutan-2-ylazanide?
The IUPAC name of lithium 2-methylbutan-2-ylazanide (CID 23671726) is lithium 2-methylbutan-2-ylazanide.
What is the SMILES notation for lithium 2-methylbutan-2-ylazanide?
The canonical SMILES for lithium 2-methylbutan-2-ylazanide is CCC(C)(C)[NH-].[Li+].
What is the InChIKey of lithium 2-methylbutan-2-ylazanide?
The InChIKey is DCDGRPWOFIJPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.Li/c1-4-5(2,3)6;/h6H,4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 2-methylbutan-2-ylazanide?
lithium 2-methylbutan-2-ylazanide has a molecular weight of 93.10 g/mol, XLogP of -0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylbutan-2-ylazanide is sourced from PubChem (CID 23671726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).