[2-(dimethylamino)-2-methylpropyl]phosphonic acid

C6H16NO3P — CID 23422538

IUPAC[2-(dimethylamino)-2-methylpropyl]phosphonic acid
SMILESCN(C)C(C)(C)CP(=O)(O)O
InChIInChI=1S/C6H16NO3P/c1-6(2,7(3)4)5-11(8,9)10/h5H2,1-4H3,(H2,8,9,10)
InChIKeyDJTMDZLXHLJBAK-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.50
Rot. Bonds3

About [2-(dimethylamino)-2-methylpropyl]phosphonic acid

[2-(dimethylamino)-2-methylpropyl]phosphonic acid (PubChem CID 23422538) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is [2-(dimethylamino)-2-methylpropyl]phosphonic acid.

Molecular Properties

Compound Name[2-(dimethylamino)-2-methylpropyl]phosphonic acid
PubChem CID23422538
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Name[2-(dimethylamino)-2-methylpropyl]phosphonic acid
SMILESCN(C)C(C)(C)CP(=O)(O)O
InChIInChI=1S/C6H16NO3P/c1-6(2,7(3)4)5-11(8,9)10/h5H2,1-4H3,(H2,8,9,10)
InChIKeyDJTMDZLXHLJBAK-UHFFFAOYSA-N
XLogP0.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-methylpropyl]phosphonic acid?
The IUPAC name of [2-(dimethylamino)-2-methylpropyl]phosphonic acid (CID 23422538) is [2-(dimethylamino)-2-methylpropyl]phosphonic acid.
What is the SMILES notation for [2-(dimethylamino)-2-methylpropyl]phosphonic acid?
The canonical SMILES for [2-(dimethylamino)-2-methylpropyl]phosphonic acid is CN(C)C(C)(C)CP(=O)(O)O.
What is the InChIKey of [2-(dimethylamino)-2-methylpropyl]phosphonic acid?
The InChIKey is DJTMDZLXHLJBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-6(2,7(3)4)5-11(8,9)10/h5H2,1-4H3,(H2,8,9,10).
What are the key properties of [2-(dimethylamino)-2-methylpropyl]phosphonic acid?
[2-(dimethylamino)-2-methylpropyl]phosphonic acid has a molecular weight of 181.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-methylpropyl]phosphonic acid is sourced from PubChem (CID 23422538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).