N,N-dimethylmethanamine;methyl dihydrogen phosphate

C4H14NO4P — CID 161217786

IUPACN,N-dimethylmethanamine;methyl dihydrogen phosphate
SMILESCN(C)C.COP(=O)(O)O
InChIInChI=1S/C3H9N.CH5O4P/c1-4(2)3;1-5-6(2,3)4/h1-3H3;1H3,(H2,2,3,4)
InChIKeyUXCIGZXRNAFHSG-UHFFFAOYSA-N
MW171.13 g/mol
LogP-0.10
Rot. Bonds1

About N,N-dimethylmethanamine;methyl dihydrogen phosphate

N,N-dimethylmethanamine;methyl dihydrogen phosphate (PubChem CID 161217786) has the molecular formula C4H14NO4P and a molecular weight of 171.13 g/mol. Its IUPAC name is N,N-dimethylmethanamine;methyl dihydrogen phosphate.

Molecular Properties

Compound NameN,N-dimethylmethanamine;methyl dihydrogen phosphate
PubChem CID161217786
Molecular FormulaC4H14NO4P
Molecular Weight171.13 g/mol
Exact Mass171.07
IUPAC NameN,N-dimethylmethanamine;methyl dihydrogen phosphate
SMILESCN(C)C.COP(=O)(O)O
InChIInChI=1S/C3H9N.CH5O4P/c1-4(2)3;1-5-6(2,3)4/h1-3H3;1H3,(H2,2,3,4)
InChIKeyUXCIGZXRNAFHSG-UHFFFAOYSA-N
XLogP-0.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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acetonitrile;methyl dihydrogen phosphate
CID 161328274
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CID 159593084
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
fluoro(methoxy)phosphinic acid
CID 23235630
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
methyl dihydrogen phosphate;pyrimidine
CID 138472642
azane;methyl phosphono hydrogen phosphate
CID 175124465

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;methyl dihydrogen phosphate?
The IUPAC name of N,N-dimethylmethanamine;methyl dihydrogen phosphate (CID 161217786) is N,N-dimethylmethanamine;methyl dihydrogen phosphate.
What is the SMILES notation for N,N-dimethylmethanamine;methyl dihydrogen phosphate?
The canonical SMILES for N,N-dimethylmethanamine;methyl dihydrogen phosphate is CN(C)C.COP(=O)(O)O.
What is the InChIKey of N,N-dimethylmethanamine;methyl dihydrogen phosphate?
The InChIKey is UXCIGZXRNAFHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH5O4P/c1-4(2)3;1-5-6(2,3)4/h1-3H3;1H3,(H2,2,3,4).
What are the key properties of N,N-dimethylmethanamine;methyl dihydrogen phosphate?
N,N-dimethylmethanamine;methyl dihydrogen phosphate has a molecular weight of 171.13 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;methyl dihydrogen phosphate is sourced from PubChem (CID 161217786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).