N,N-dimethyl-propan-2-yloxyphosphonamidic acid

C5H14NO3P — CID 14117490

IUPACN,N-dimethyl-propan-2-yloxyphosphonamidic acid
SMILESCC(C)OP(=O)(O)N(C)C
InChIInChI=1S/C5H14NO3P/c1-5(2)9-10(7,8)6(3)4/h5H,1-4H3,(H,7,8)
InChIKeyMINGXKFVTUPTLL-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.07
Rot. Bonds3

About N,N-dimethyl-propan-2-yloxyphosphonamidic acid

N,N-dimethyl-propan-2-yloxyphosphonamidic acid (PubChem CID 14117490) has the molecular formula C5H14NO3P and a molecular weight of 167.14 g/mol. Its IUPAC name is N,N-dimethyl-propan-2-yloxyphosphonamidic acid.

Molecular Properties

Compound NameN,N-dimethyl-propan-2-yloxyphosphonamidic acid
PubChem CID14117490
Molecular FormulaC5H14NO3P
Molecular Weight167.14 g/mol
Exact Mass167.07
IUPAC NameN,N-dimethyl-propan-2-yloxyphosphonamidic acid
SMILESCC(C)OP(=O)(O)N(C)C
InChIInChI=1S/C5H14NO3P/c1-5(2)9-10(7,8)6(3)4/h5H,1-4H3,(H,7,8)
InChIKeyMINGXKFVTUPTLL-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
CID 10681444
calcium;dihydrogen phosphate;propan-2-yl hydrogen phosphate
CID 175259848
fluoro propan-2-yl hydrogen phosphate
CID 22590861
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
1-[[dimethylamino(propan-2-yloxy)phosphoryl]-methylamino]propan-2-one
CID 158910314
2-dimethylphosphoryloxypropane
CID 12572720
[hydroxy(phosphonooxy)phosphoryl] propan-2-yl hydrogen phosphate
CID 59471512
copper bis(dipropan-2-yl phosphate)
CID 159825108
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
[1-hydroxy-1-[hydroxy(propan-2-yloxy)phosphoryl]ethyl]phosphonic acid
CID 54028975

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-propan-2-yloxyphosphonamidic acid?
The IUPAC name of N,N-dimethyl-propan-2-yloxyphosphonamidic acid (CID 14117490) is N,N-dimethyl-propan-2-yloxyphosphonamidic acid.
What is the SMILES notation for N,N-dimethyl-propan-2-yloxyphosphonamidic acid?
The canonical SMILES for N,N-dimethyl-propan-2-yloxyphosphonamidic acid is CC(C)OP(=O)(O)N(C)C.
What is the InChIKey of N,N-dimethyl-propan-2-yloxyphosphonamidic acid?
The InChIKey is MINGXKFVTUPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P/c1-5(2)9-10(7,8)6(3)4/h5H,1-4H3,(H,7,8).
What are the key properties of N,N-dimethyl-propan-2-yloxyphosphonamidic acid?
N,N-dimethyl-propan-2-yloxyphosphonamidic acid has a molecular weight of 167.14 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-propan-2-yloxyphosphonamidic acid is sourced from PubChem (CID 14117490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).