bis[(tert-butylamino)methyl]phosphinic acid

C10H25N2O2P — CID 12565361

IUPACbis[(tert-butylamino)methyl]phosphinic acid
SMILESCC(C)(C)NCP(=O)(O)CNC(C)(C)C
InChIInChI=1S/C10H25N2O2P/c1-9(2,3)11-7-15(13,14)8-12-10(4,5)6/h11-12H,7-8H2,1-6H3,(H,13,14)
InChIKeyGJUVPPMXADSWIR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.95
Rot. Bonds4

About bis[(tert-butylamino)methyl]phosphinic acid

bis[(tert-butylamino)methyl]phosphinic acid (PubChem CID 12565361) has the molecular formula C10H25N2O2P and a molecular weight of 236.30 g/mol. Its IUPAC name is bis[(tert-butylamino)methyl]phosphinic acid.

Molecular Properties

Compound Namebis[(tert-butylamino)methyl]phosphinic acid
PubChem CID12565361
Molecular FormulaC10H25N2O2P
Molecular Weight236.30 g/mol
Exact Mass236.17
IUPAC Namebis[(tert-butylamino)methyl]phosphinic acid
SMILESCC(C)(C)NCP(=O)(O)CNC(C)(C)C
InChIInChI=1S/C10H25N2O2P/c1-9(2,3)11-7-15(13,14)8-12-10(4,5)6/h11-12H,7-8H2,1-6H3,(H,13,14)
InChIKeyGJUVPPMXADSWIR-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[Bis[[hydroxy(oxido)phosphoryl]methyl]azaniumyl]methyl-hydroxyphosphinate;bis(tert-butylazanium);trihydrate
CID 139177845
Bis(propylaminomethyl)phosphinic acid
CID 2055276
[1-(Tert-butylamino)-2,2-dimethylpropyl]-methylphosphinic acid
CID 18627159
tert-Butylaminomethylphosphonic acid
CID 20512660
Aminomethylphosphonic acid;2-methylpropan-2-amine
CID 22757851
[2-Methyl-2-(methylamino)propyl]phosphonic acid
CID 140281308
Bis[2-(methylamino)propan-2-yl]phosphinic acid
CID 140281454
Bis[2-(methylamino)propyl]phosphinic acid
CID 140281486
Bis[2-(methylamino)butan-2-yl]phosphinic acid
CID 140281514
[Hydroxy-[(propylazaniumyl)methyl]phosphoryl]methyl-propylazanium
CID 2055275
2-methyl-N-(phosphonatomethyl)propan-2-amine
CID 20512659

Frequently Asked Questions

What is the IUPAC name of bis[(tert-butylamino)methyl]phosphinic acid?
The IUPAC name of bis[(tert-butylamino)methyl]phosphinic acid (CID 12565361) is bis[(tert-butylamino)methyl]phosphinic acid.
What is the SMILES notation for bis[(tert-butylamino)methyl]phosphinic acid?
The canonical SMILES for bis[(tert-butylamino)methyl]phosphinic acid is CC(C)(C)NCP(=O)(O)CNC(C)(C)C.
What is the InChIKey of bis[(tert-butylamino)methyl]phosphinic acid?
The InChIKey is GJUVPPMXADSWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N2O2P/c1-9(2,3)11-7-15(13,14)8-12-10(4,5)6/h11-12H,7-8H2,1-6H3,(H,13,14).
What are the key properties of bis[(tert-butylamino)methyl]phosphinic acid?
bis[(tert-butylamino)methyl]phosphinic acid has a molecular weight of 236.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(tert-butylamino)methyl]phosphinic acid is sourced from PubChem (CID 12565361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).