acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine

C8H22N3O3P — CID 174794391

IUPACacetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCC(=O)O.CN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C6H18N3OP.C2H4O2/c1-7(2)11(10,8(3)4)9(5)6;1-2(3)4/h1-6H3;1H3,(H,3,4)
InChIKeyKHDPKMMBSGDYSE-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.87
Rot. Bonds3

About acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine

acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 174794391) has the molecular formula C8H22N3O3P and a molecular weight of 239.26 g/mol. Its IUPAC name is acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound Nameacetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID174794391
Molecular FormulaC8H22N3O3P
Molecular Weight239.26 g/mol
Exact Mass239.14
IUPAC Nameacetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCC(=O)O.CN(C)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C6H18N3OP.C2H4O2/c1-7(2)11(10,8(3)4)9(5)6;1-2(3)4/h1-6H3;1H3,(H,3,4)
InChIKeyKHDPKMMBSGDYSE-UHFFFAOYSA-N
XLogP0.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.87
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

calcium;acetic acid;hydrogen phosphate
CID 155194224
acetic acid
CID 158444727
acetic acid;cobalt;phosphoric acid
CID 174842184
trisodium;acetic acid;hydrogen phosphate;chloride
CID 175955143
sodium;acetic acid;N,N-dimethylmethanamine;hydride;methanol
CID 173381016
acetic acid;azane;phosphoric acid;zinc
CID 174918986
potassium;acetic acid;hydride;phosphoric acid
CID 173226797
acetic acid;azane
CID 173340275
acetic acid;cadmium
CID 2514
Tin(II)acetate
CID 87063833
acetic acid;carbonic acid
CID 157418112
acetic acid;decahydrate
CID 163997764

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine (CID 174794391) is acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine is CC(=O)O.CN(C)P(=O)(N(C)C)N(C)C.
What is the InChIKey of acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is KHDPKMMBSGDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3OP.C2H4O2/c1-7(2)11(10,8(3)4)9(5)6;1-2(3)4/h1-6H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine?
acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 239.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 174794391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).