N-dimethoxyphosphoryl-2-methylpropan-2-amine

C6H16NO3P — CID 12631494

IUPACN-dimethoxyphosphoryl-2-methylpropan-2-amine
SMILESCOP(=O)(NC(C)(C)C)OC
InChIInChI=1S/C6H16NO3P/c1-6(2,3)7-11(8,9-4)10-5/h1-5H3,(H,7,8)
InChIKeyPZUXATVCMFNQBT-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.78
Rot. Bonds3

About N-dimethoxyphosphoryl-2-methylpropan-2-amine

N-dimethoxyphosphoryl-2-methylpropan-2-amine (PubChem CID 12631494) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is N-dimethoxyphosphoryl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-dimethoxyphosphoryl-2-methylpropan-2-amine
PubChem CID12631494
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC NameN-dimethoxyphosphoryl-2-methylpropan-2-amine
SMILESCOP(=O)(NC(C)(C)C)OC
InChIInChI=1S/C6H16NO3P/c1-6(2,3)7-11(8,9-4)10-5/h1-5H3,(H,7,8)
InChIKeyPZUXATVCMFNQBT-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dimethoxyphosphoryl-2-methylpropan-2-amine?
The IUPAC name of N-dimethoxyphosphoryl-2-methylpropan-2-amine (CID 12631494) is N-dimethoxyphosphoryl-2-methylpropan-2-amine.
What is the SMILES notation for N-dimethoxyphosphoryl-2-methylpropan-2-amine?
The canonical SMILES for N-dimethoxyphosphoryl-2-methylpropan-2-amine is COP(=O)(NC(C)(C)C)OC.
What is the InChIKey of N-dimethoxyphosphoryl-2-methylpropan-2-amine?
The InChIKey is PZUXATVCMFNQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-6(2,3)7-11(8,9-4)10-5/h1-5H3,(H,7,8).
What are the key properties of N-dimethoxyphosphoryl-2-methylpropan-2-amine?
N-dimethoxyphosphoryl-2-methylpropan-2-amine has a molecular weight of 181.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryl-2-methylpropan-2-amine is sourced from PubChem (CID 12631494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).