2-aminoethyl(2-azaniumylethyl)azanium

C₄H₁₅N₃+2 — CID 139591977

About 2-aminoethyl(2-azaniumylethyl)azanium

2-aminoethyl(2-azaniumylethyl)azanium (PubChem CID 139591977) has the molecular formula C₄H₁₅N₃+2 and a molecular weight of 105.19 g/mol. Its IUPAC name is 2-aminoethyl(2-azaniumylethyl)azanium.

Molecular Properties

• Compound Name: 2-aminoethyl(2-azaniumylethyl)azanium
• PubChem CID: 139591977
• Molecular Formula: C₄H₁₅N₃+2
• Molecular Weight: 105.19 g/mol
• Exact Mass: 105.13
• IUPAC Name: 2-aminoethyl(2-azaniumylethyl)azanium
• SMILES: NCC[NH2+]CC[NH3+]
• InChI: InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+2
• InChIKey: RPNUMPOLZDHAAY-UHFFFAOYSA-P
• XLogP: -3.25
• TPSA: 70.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	105.19
LogP ≤ 5	-3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(2-azaniumylethyl)azanium?

The IUPAC name of 2-aminoethyl(2-azaniumylethyl)azanium (CID 139591977) is 2-aminoethyl(2-azaniumylethyl)azanium.

What is the SMILES notation for 2-aminoethyl(2-azaniumylethyl)azanium?

The canonical SMILES for 2-aminoethyl(2-azaniumylethyl)azanium is NCC[NH2+]CC[NH3+].

What is the InChIKey of 2-aminoethyl(2-azaniumylethyl)azanium?

The InChIKey is RPNUMPOLZDHAAY-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2/p+2.

What are the key properties of 2-aminoethyl(2-azaniumylethyl)azanium?

2-aminoethyl(2-azaniumylethyl)azanium has a molecular weight of 105.19 g/mol, XLogP of -3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethyl(2-azaniumylethyl)azanium is sourced from PubChem (CID 139591977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139591977 — identifiers, structure, computed properties (public domain)

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