5-azaniumylpentylazanium

C5H16N2+2 — CID 3718401

IUPAC5-azaniumylpentylazanium
SMILES[NH3+]CCCCC[NH3+]
InChIInChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2
InChIKeyVHRGRCVQAFMJIZ-UHFFFAOYSA-P
MW104.20 g/mol
LogP-1.36
Rot. Bonds4

About 5-azaniumylpentylazanium

5-azaniumylpentylazanium (PubChem CID 3718401) has the molecular formula C5H16N2+2 and a molecular weight of 104.20 g/mol. Its IUPAC name is 5-azaniumylpentylazanium.

Molecular Properties

Compound Name5-azaniumylpentylazanium
PubChem CID3718401
Molecular FormulaC5H16N2+2
Molecular Weight104.20 g/mol
Exact Mass104.13
IUPAC Name5-azaniumylpentylazanium
SMILES[NH3+]CCCCC[NH3+]
InChIInChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2
InChIKeyVHRGRCVQAFMJIZ-UHFFFAOYSA-P
XLogP-1.36
TPSA55.28 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 ≤ 5-1.36
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 5-azaniumylpentylazanium?
The IUPAC name of 5-azaniumylpentylazanium (CID 3718401) is 5-azaniumylpentylazanium.
What is the SMILES notation for 5-azaniumylpentylazanium?
The canonical SMILES for 5-azaniumylpentylazanium is [NH3+]CCCCC[NH3+].
What is the InChIKey of 5-azaniumylpentylazanium?
The InChIKey is VHRGRCVQAFMJIZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2.
What are the key properties of 5-azaniumylpentylazanium?
5-azaniumylpentylazanium has a molecular weight of 104.20 g/mol, XLogP of -1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaniumylpentylazanium is sourced from PubChem (CID 3718401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).