2-azaniumylethyl(propyl)azanium

C5H16N2+2 — CID 6993675

IUPAC2-azaniumylethyl(propyl)azanium
SMILESCCC[NH2+]CC[NH3+]
InChIInChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3/p+2
InChIKeyCFNHVUGPXZUTRR-UHFFFAOYSA-P
MW104.20 g/mol
LogP-1.80
Rot. Bonds4

About 2-azaniumylethyl(propyl)azanium

2-azaniumylethyl(propyl)azanium (PubChem CID 6993675) has the molecular formula C5H16N2+2 and a molecular weight of 104.20 g/mol. Its IUPAC name is 2-azaniumylethyl(propyl)azanium.

Molecular Properties

Compound Name2-azaniumylethyl(propyl)azanium
PubChem CID6993675
Molecular FormulaC5H16N2+2
Molecular Weight104.20 g/mol
Exact Mass104.13
IUPAC Name2-azaniumylethyl(propyl)azanium
SMILESCCC[NH2+]CC[NH3+]
InChIInChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3/p+2
InChIKeyCFNHVUGPXZUTRR-UHFFFAOYSA-P
XLogP-1.80
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl(propyl)azanium?
The IUPAC name of 2-azaniumylethyl(propyl)azanium (CID 6993675) is 2-azaniumylethyl(propyl)azanium.
What is the SMILES notation for 2-azaniumylethyl(propyl)azanium?
The canonical SMILES for 2-azaniumylethyl(propyl)azanium is CCC[NH2+]CC[NH3+].
What is the InChIKey of 2-azaniumylethyl(propyl)azanium?
The InChIKey is CFNHVUGPXZUTRR-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3/p+2.
What are the key properties of 2-azaniumylethyl(propyl)azanium?
2-azaniumylethyl(propyl)azanium has a molecular weight of 104.20 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl(propyl)azanium is sourced from PubChem (CID 6993675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).