2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid

C8H22N2O6P2 — CID 23422673

IUPAC2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid
SMILESCN(CCN(C)CCP(=O)(O)O)CCP(=O)(O)O
InChIInChI=1S/C8H22N2O6P2/c1-9(5-7-17(11,12)13)3-4-10(2)6-8-18(14,15)16/h3-8H2,1-2H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyQPBOAYWHFFYCLB-UHFFFAOYSA-N
MW304.22 g/mol
LogP-0.79
Rot. Bonds9

About 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid

2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid (PubChem CID 23422673) has the molecular formula C8H22N2O6P2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid.

Molecular Properties

Compound Name2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid
PubChem CID23422673
Molecular FormulaC8H22N2O6P2
Molecular Weight304.22 g/mol
Exact Mass304.10
IUPAC Name2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid
SMILESCN(CCN(C)CCP(=O)(O)O)CCP(=O)(O)O
InChIInChI=1S/C8H22N2O6P2/c1-9(5-7-17(11,12)13)3-4-10(2)6-8-18(14,15)16/h3-8H2,1-2H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyQPBOAYWHFFYCLB-UHFFFAOYSA-N
XLogP-0.79
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
CID 13294663
2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol
CID 146917629
3-[bis(2-phosphonoethyl)amino]propyl-trimethylazanium
CID 118933313
[ethyl-[2-[2-[methyl(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
CID 167081663
3-[methyl(3-phosphonooxypropyl)amino]propyl dihydrogen phosphate
CID 58601805
5-phosphonopentylphosphonic acid
CID 2773804
3,3-dimethylbutylphosphonic acid
CID 15402429
sodium;hydride;methyl(methylaminomethyl)phosphinic acid
CID 173239428
butylphosphonic acid;neodymium
CID 134499527
[1,2-diethyl-2-[ethyl(2-phosphonoethyl)amino]butyl]phosphonic acid
CID 87825623
N,N-dimethylmethanamine;2-phosphonoacetic acid
CID 174478307
potassium;butylphosphonic acid;hydride
CID 174388690

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid?
The IUPAC name of 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid (CID 23422673) is 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid.
What is the SMILES notation for 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid?
The canonical SMILES for 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid is CN(CCN(C)CCP(=O)(O)O)CCP(=O)(O)O.
What is the InChIKey of 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid?
The InChIKey is QPBOAYWHFFYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O6P2/c1-9(5-7-17(11,12)13)3-4-10(2)6-8-18(14,15)16/h3-8H2,1-2H3,(H2,11,12,13)(H2,14,15,16).
What are the key properties of 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid?
2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid has a molecular weight of 304.22 g/mol, XLogP of -0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid is sourced from PubChem (CID 23422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).