2-methylpropan-2-amine;propan-2-ylphosphonic acid

C7H20NO3P — CID 145496478

IUPAC2-methylpropan-2-amine;propan-2-ylphosphonic acid
SMILESCC(C)(C)N.CC(C)P(=O)(O)O
InChIInChI=1S/C4H11N.C3H9O3P/c1-4(2,3)5;1-3(2)7(4,5)6/h5H2,1-3H3;3H,1-2H3,(H2,4,5,6)
InChIKeyAEOWKHOZUQJRLO-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.32
Rot. Bonds1

About 2-methylpropan-2-amine;propan-2-ylphosphonic acid

2-methylpropan-2-amine;propan-2-ylphosphonic acid (PubChem CID 145496478) has the molecular formula C7H20NO3P and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-methylpropan-2-amine;propan-2-ylphosphonic acid.

Molecular Properties

Compound Name2-methylpropan-2-amine;propan-2-ylphosphonic acid
PubChem CID145496478
Molecular FormulaC7H20NO3P
Molecular Weight197.21 g/mol
Exact Mass197.12
IUPAC Name2-methylpropan-2-amine;propan-2-ylphosphonic acid
SMILESCC(C)(C)N.CC(C)P(=O)(O)O
InChIInChI=1S/C4H11N.C3H9O3P/c1-4(2,3)5;1-3(2)7(4,5)6/h5H2,1-3H3;3H,1-2H3,(H2,4,5,6)
InChIKeyAEOWKHOZUQJRLO-UHFFFAOYSA-N
XLogP1.32
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;propan-2-ylphosphonic acid?
The IUPAC name of 2-methylpropan-2-amine;propan-2-ylphosphonic acid (CID 145496478) is 2-methylpropan-2-amine;propan-2-ylphosphonic acid.
What is the SMILES notation for 2-methylpropan-2-amine;propan-2-ylphosphonic acid?
The canonical SMILES for 2-methylpropan-2-amine;propan-2-ylphosphonic acid is CC(C)(C)N.CC(C)P(=O)(O)O.
What is the InChIKey of 2-methylpropan-2-amine;propan-2-ylphosphonic acid?
The InChIKey is AEOWKHOZUQJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H9O3P/c1-4(2,3)5;1-3(2)7(4,5)6/h5H2,1-3H3;3H,1-2H3,(H2,4,5,6).
What are the key properties of 2-methylpropan-2-amine;propan-2-ylphosphonic acid?
2-methylpropan-2-amine;propan-2-ylphosphonic acid has a molecular weight of 197.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;propan-2-ylphosphonic acid is sourced from PubChem (CID 145496478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).