Aminomethyl(ethylaminomethyl)phosphinic acid

C₄H₁₃N₂O₂P — CID 139414090

About Aminomethyl(ethylaminomethyl)phosphinic acid

Aminomethyl(ethylaminomethyl)phosphinic acid (PubChem CID 139414090) has the molecular formula C₄H₁₃N₂O₂P and a molecular weight of 152.13 g/mol. Its IUPAC name is aminomethyl(ethylaminomethyl)phosphinic acid.

Molecular Properties

• Compound Name: Aminomethyl(ethylaminomethyl)phosphinic acid
• PubChem CID: 139414090
• Molecular Formula: C₄H₁₃N₂O₂P
• Molecular Weight: 152.13 g/mol
• Exact Mass: 152.07
• IUPAC Name: aminomethyl(ethylaminomethyl)phosphinic acid
• SMILES: CCNCP(=O)(O)CN
• InChI: InChI=1S/C4H13N2O2P/c1-2-6-4-9(7,8)3-5/h6H,2-5H2,1H3,(H,7,8)
• InChIKey: LUIYMYOTSRUWSF-UHFFFAOYSA-N
• XLogP: -0.26
• TPSA: 75.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.13
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Aminomethyl(ethylaminomethyl)phosphinic acid?

The IUPAC name of Aminomethyl(ethylaminomethyl)phosphinic acid (CID 139414090) is aminomethyl(ethylaminomethyl)phosphinic acid.

What is the SMILES notation for Aminomethyl(ethylaminomethyl)phosphinic acid?

The canonical SMILES for Aminomethyl(ethylaminomethyl)phosphinic acid is CCNCP(=O)(O)CN.

What is the InChIKey of Aminomethyl(ethylaminomethyl)phosphinic acid?

The InChIKey is LUIYMYOTSRUWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2O2P/c1-2-6-4-9(7,8)3-5/h6H,2-5H2,1H3,(H,7,8).

What are the key properties of Aminomethyl(ethylaminomethyl)phosphinic acid?

Aminomethyl(ethylaminomethyl)phosphinic acid has a molecular weight of 152.13 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Aminomethyl(ethylaminomethyl)phosphinic acid is sourced from PubChem (CID 139414090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139414090 — identifiers, structure, computed properties (public domain)

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