aminomethylphosphonic acid;2-methylpropan-2-amine

C5H17N2O3P — CID 22757851

IUPACaminomethylphosphonic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.NCP(=O)(O)O
InChIInChI=1S/C4H11N.CH6NO3P/c1-4(2,3)5;2-1-6(3,4)5/h5H2,1-3H3;1-2H2,(H2,3,4,5)
InChIKeyZFQWFKFDTSCECI-UHFFFAOYSA-N
MW184.18 g/mol
LogP-0.18
Rot. Bonds1

About aminomethylphosphonic acid;2-methylpropan-2-amine

aminomethylphosphonic acid;2-methylpropan-2-amine (PubChem CID 22757851) has the molecular formula C5H17N2O3P and a molecular weight of 184.18 g/mol. Its IUPAC name is aminomethylphosphonic acid;2-methylpropan-2-amine.

Molecular Properties

Compound Nameaminomethylphosphonic acid;2-methylpropan-2-amine
PubChem CID22757851
Molecular FormulaC5H17N2O3P
Molecular Weight184.18 g/mol
Exact Mass184.10
IUPAC Nameaminomethylphosphonic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.NCP(=O)(O)O
InChIInChI=1S/C4H11N.CH6NO3P/c1-4(2,3)5;2-1-6(3,4)5/h5H2,1-3H3;1-2H2,(H2,3,4,5)
InChIKeyZFQWFKFDTSCECI-UHFFFAOYSA-N
XLogP-0.18
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyanophosphonic acid;bis(propan-2-amine)
CID 15367031
Bis(tert-butylaminomethyl)phosphinic acid
CID 12565361
tert-Butylaminomethylphosphonic acid
CID 20512660
2-Methylpropane-1,2-diamine;phosphoric acid
CID 89442571
2-Methylpropan-2-amine;propan-2-ylphosphonic acid
CID 145496478

Frequently Asked Questions

What is the IUPAC name of aminomethylphosphonic acid;2-methylpropan-2-amine?
The IUPAC name of aminomethylphosphonic acid;2-methylpropan-2-amine (CID 22757851) is aminomethylphosphonic acid;2-methylpropan-2-amine.
What is the SMILES notation for aminomethylphosphonic acid;2-methylpropan-2-amine?
The canonical SMILES for aminomethylphosphonic acid;2-methylpropan-2-amine is CC(C)(C)N.NCP(=O)(O)O.
What is the InChIKey of aminomethylphosphonic acid;2-methylpropan-2-amine?
The InChIKey is ZFQWFKFDTSCECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CH6NO3P/c1-4(2,3)5;2-1-6(3,4)5/h5H2,1-3H3;1-2H2,(H2,3,4,5).
What are the key properties of aminomethylphosphonic acid;2-methylpropan-2-amine?
aminomethylphosphonic acid;2-methylpropan-2-amine has a molecular weight of 184.18 g/mol, XLogP of -0.18, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylphosphonic acid;2-methylpropan-2-amine is sourced from PubChem (CID 22757851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).