(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid

C6H15N2O3P — CID 659707

IUPAC(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid
SMILESCN(C)CP(=O)(O)CN(C)C=O
InChIInChI=1S/C6H15N2O3P/c1-7(2)5-12(10,11)6-8(3)4-9/h4H,5-6H2,1-3H3,(H,10,11)
InChIKeyYCLVOFMZUPLMAA-UHFFFAOYSA-N
MW194.17 g/mol
LogP-0.18
Rot. Bonds5

About (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid

(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid (PubChem CID 659707) has the molecular formula C6H15N2O3P and a molecular weight of 194.17 g/mol. Its IUPAC name is (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid.

Molecular Properties

Compound Name(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid
PubChem CID659707
Molecular FormulaC6H15N2O3P
Molecular Weight194.17 g/mol
Exact Mass194.08
IUPAC Name(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid
SMILESCN(C)CP(=O)(O)CN(C)C=O
InChIInChI=1S/C6H15N2O3P/c1-7(2)5-12(10,11)6-8(3)4-9/h4H,5-6H2,1-3H3,(H,10,11)
InChIKeyYCLVOFMZUPLMAA-UHFFFAOYSA-N
XLogP-0.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid
CID 658487
N-[[[formyl(methyl)amino]methyl-trimethylsilyloxyphosphoryl]methyl]-N-methylformamide
CID 15373316
N-(hydroperoxymethyl)-N-methylformamide
CID 102152453
(dimethylamino)methyl-(2-triethylsilylethyl)phosphinic acid
CID 3703644
N,N-dimethylprop-2-en-1-amine;phosphoric acid;hydrochloride
CID 174858360
1-[bis[(dimethylamino)methyl]phosphoryl]-N,N-dimethylmethanamine;trihydrochloride
CID 12717840
N-methyl-N-(2-sulfanylethyl)formamide
CID 139923648
N-ethyl-N-methylformamide;propane
CID 144948396
N-(aminomethyl)-N-methylformamide
CID 57084326
2-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
[4-(dimethylamino)butyl-(phosphonomethyl)amino]methylphosphonic acid
CID 20776526
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid?
The IUPAC name of (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid (CID 659707) is (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid.
What is the SMILES notation for (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid?
The canonical SMILES for (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid is CN(C)CP(=O)(O)CN(C)C=O.
What is the InChIKey of (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid?
The InChIKey is YCLVOFMZUPLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O3P/c1-7(2)5-12(10,11)6-8(3)4-9/h4H,5-6H2,1-3H3,(H,10,11).
What are the key properties of (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid?
(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid has a molecular weight of 194.17 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid is sourced from PubChem (CID 659707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).