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

C6H14NNaO — CID 87579941

IUPACsodium 1-(dimethylamino)-2-methylpropan-2-olate
SMILESCN(C)CC(C)(C)[O-].[Na+]
InChIInChI=1S/C6H14NO.Na/c1-6(2,8)5-7(3)4;/h5H2,1-4H3;/q-1;+1
InChIKeyATKFKPHZVBDUTR-UHFFFAOYSA-N
MW139.17 g/mol
LogP-3.31
Rot. Bonds2

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

sodium 1-(dimethylamino)-2-methylpropan-2-olate (PubChem CID 87579941) has the molecular formula C6H14NNaO and a molecular weight of 139.17 g/mol. Its IUPAC name is sodium 1-(dimethylamino)-2-methylpropan-2-olate.

Molecular Properties

Compound Namesodium 1-(dimethylamino)-2-methylpropan-2-olate
PubChem CID87579941
Molecular FormulaC6H14NNaO
Molecular Weight139.17 g/mol
Exact Mass139.10
IUPAC Namesodium 1-(dimethylamino)-2-methylpropan-2-olate
SMILESCN(C)CC(C)(C)[O-].[Na+]
InChIInChI=1S/C6H14NO.Na/c1-6(2,8)5-7(3)4;/h5H2,1-4H3;/q-1;+1
InChIKeyATKFKPHZVBDUTR-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 ≤ 500139.17
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 sodium 1-(dimethylamino)-2-methylpropan-2-olate?
The IUPAC name of sodium 1-(dimethylamino)-2-methylpropan-2-olate (CID 87579941) is sodium 1-(dimethylamino)-2-methylpropan-2-olate.
What is the SMILES notation for sodium 1-(dimethylamino)-2-methylpropan-2-olate?
The canonical SMILES for sodium 1-(dimethylamino)-2-methylpropan-2-olate is CN(C)CC(C)(C)[O-].[Na+].
What is the InChIKey of sodium 1-(dimethylamino)-2-methylpropan-2-olate?
The InChIKey is ATKFKPHZVBDUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.Na/c1-6(2,8)5-7(3)4;/h5H2,1-4H3;/q-1;+1.
What are the key properties of sodium 1-(dimethylamino)-2-methylpropan-2-olate?
sodium 1-(dimethylamino)-2-methylpropan-2-olate has a molecular weight of 139.17 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 sodium 1-(dimethylamino)-2-methylpropan-2-olate is sourced from PubChem (CID 87579941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).