N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine

C3H9N2O3P-2 — CID 163539554

IUPACN-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine
SMILESCN([O-])P(C)(=O)N(C)[O-]
InChIInChI=1S/C3H9N2O3P/c1-4(6)9(3,8)5(2)7/h1-3H3/q-2
InChIKeyHTTSGGHRWHKWDY-UHFFFAOYSA-N
MW152.09 g/mol
LogP0.67
Rot. Bonds2

About N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine

N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine (PubChem CID 163539554) has the molecular formula C3H9N2O3P-2 and a molecular weight of 152.09 g/mol. Its IUPAC name is N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine.

Molecular Properties

Compound NameN-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine
PubChem CID163539554
Molecular FormulaC3H9N2O3P-2
Molecular Weight152.09 g/mol
Exact Mass152.04
IUPAC NameN-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine
SMILESCN([O-])P(C)(=O)N(C)[O-]
InChIInChI=1S/C3H9N2O3P/c1-4(6)9(3,8)5(2)7/h1-3H3/q-2
InChIKeyHTTSGGHRWHKWDY-UHFFFAOYSA-N
XLogP0.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium methyl-dioxido-oxo-λ5-phosphane
CID 59434200
dicalcium;methane;bis(methyl-dioxido-oxo-λ5-phosphane)
CID 160609044
amino(methyl)phosphinate
CID 18377257
dimethylphosphorylmethane;hydron
CID 139251377
N-[tert-butyl(methyl)phosphoryl]-N-methylmethanamine
CID 54052697
N-bis[difluorophosphanyl(methyl)amino]phosphoryl-N-difluorophosphanylmethanamine
CID 23414122
[2-methyl-3-[methyl-[methyl(oxido)amino]phosphoryl]oxypropyl] acetate
CID 163866587
sodium bis(dimethylamino) phosphate
CID 23665369
N-[amino(tert-butyl)phosphoryl]-N-methylmethanamine
CID 123774339
N-[dimethylamino(fluoro)(18F)phosphoryl]-N-methylmethanamine
CID 11367107
potassium;oxido(dioxo)niobium;phosphoric acid
CID 173154424
disodium;N-methyl-N-phosphonatoethanamine
CID 88812054

Frequently Asked Questions

What is the IUPAC name of N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine?
The IUPAC name of N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine (CID 163539554) is N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine.
What is the SMILES notation for N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine?
The canonical SMILES for N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine is CN([O-])P(C)(=O)N(C)[O-].
What is the InChIKey of N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine?
The InChIKey is HTTSGGHRWHKWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O3P/c1-4(6)9(3,8)5(2)7/h1-3H3/q-2.
What are the key properties of N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine?
N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine has a molecular weight of 152.09 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-[methyl(oxido)amino]phosphoryl]-N-oxidomethanamine is sourced from PubChem (CID 163539554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).