2-azaniumylethyl(ethyl)azanium

C4H14N2+2 — CID 6999060

IUPAC2-azaniumylethyl(ethyl)azanium
SMILESCC[NH2+]CC[NH3+]
InChIInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+2
InChIKeySCZVXVGZMZRGRU-UHFFFAOYSA-P
MW90.17 g/mol
LogP-2.19
Rot. Bonds3

About 2-azaniumylethyl(ethyl)azanium

2-azaniumylethyl(ethyl)azanium (PubChem CID 6999060) has the molecular formula C4H14N2+2 and a molecular weight of 90.17 g/mol. Its IUPAC name is 2-azaniumylethyl(ethyl)azanium.

Molecular Properties

Compound Name2-azaniumylethyl(ethyl)azanium
PubChem CID6999060
Molecular FormulaC4H14N2+2
Molecular Weight90.17 g/mol
Exact Mass90.11
IUPAC Name2-azaniumylethyl(ethyl)azanium
SMILESCC[NH2+]CC[NH3+]
InChIInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+2
InChIKeySCZVXVGZMZRGRU-UHFFFAOYSA-P
XLogP-2.19
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-azaniumylethyl(ethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl(ethyl)azanium?
The IUPAC name of 2-azaniumylethyl(ethyl)azanium (CID 6999060) is 2-azaniumylethyl(ethyl)azanium.
What is the SMILES notation for 2-azaniumylethyl(ethyl)azanium?
The canonical SMILES for 2-azaniumylethyl(ethyl)azanium is CC[NH2+]CC[NH3+].
What is the InChIKey of 2-azaniumylethyl(ethyl)azanium?
The InChIKey is SCZVXVGZMZRGRU-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3/p+2.
What are the key properties of 2-azaniumylethyl(ethyl)azanium?
2-azaniumylethyl(ethyl)azanium has a molecular weight of 90.17 g/mol, XLogP of -2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(ethyl)azanium is sourced from PubChem (CID 6999060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).