lithium 1-(dimethylamino)-2-methylpropan-2-olate

C6H14LiNO — CID 90332075

IUPAClithium 1-(dimethylamino)-2-methylpropan-2-olate
SMILESCN(C)CC(C)(C)[O-].[Li+]
InChIInChI=1S/C6H14NO.Li/c1-6(2,8)5-7(3)4;/h5H2,1-4H3;/q-1;+1
InChIKeyNTQSDMVGMFYXIV-UHFFFAOYSA-N
MW123.12 g/mol
LogP-3.31
Rot. Bonds2

About lithium 1-(dimethylamino)-2-methylpropan-2-olate

lithium 1-(dimethylamino)-2-methylpropan-2-olate (PubChem CID 90332075) has the molecular formula C6H14LiNO and a molecular weight of 123.12 g/mol. Its IUPAC name is lithium 1-(dimethylamino)-2-methylpropan-2-olate.

Molecular Properties

Compound Namelithium 1-(dimethylamino)-2-methylpropan-2-olate
PubChem CID90332075
Molecular FormulaC6H14LiNO
Molecular Weight123.12 g/mol
Exact Mass123.12
IUPAC Namelithium 1-(dimethylamino)-2-methylpropan-2-olate
SMILESCN(C)CC(C)(C)[O-].[Li+]
InChIInChI=1S/C6H14NO.Li/c1-6(2,8)5-7(3)4;/h5H2,1-4H3;/q-1;+1
InChIKeyNTQSDMVGMFYXIV-UHFFFAOYSA-N
XLogP-3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 1-(dimethylamino)-2-methylpropan-2-olate?
The IUPAC name of lithium 1-(dimethylamino)-2-methylpropan-2-olate (CID 90332075) is lithium 1-(dimethylamino)-2-methylpropan-2-olate.
What is the SMILES notation for lithium 1-(dimethylamino)-2-methylpropan-2-olate?
The canonical SMILES for lithium 1-(dimethylamino)-2-methylpropan-2-olate is CN(C)CC(C)(C)[O-].[Li+].
What is the InChIKey of lithium 1-(dimethylamino)-2-methylpropan-2-olate?
The InChIKey is NTQSDMVGMFYXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.Li/c1-6(2,8)5-7(3)4;/h5H2,1-4H3;/q-1;+1.
What are the key properties of lithium 1-(dimethylamino)-2-methylpropan-2-olate?
lithium 1-(dimethylamino)-2-methylpropan-2-olate has a molecular weight of 123.12 g/mol, XLogP of -3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(dimethylamino)-2-methylpropan-2-olate is sourced from PubChem (CID 90332075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).