3-azaniumyloxypropylazanium

C3H12N2O+2 — CID 24916920

IUPAC3-azaniumyloxypropylazanium
SMILES[NH3+]CCCO[NH3+]
InChIInChI=1S/C3H11N2O/c4-2-1-3-6-5/h1-4H2,5H3/q+1/p+1
InChIKeyQBWQFFCLQZPSJI-UHFFFAOYSA-O
MW92.14 g/mol
LogP-2.21
Rot. Bonds3

About 3-azaniumyloxypropylazanium

3-azaniumyloxypropylazanium (PubChem CID 24916920) has the molecular formula C3H12N2O+2 and a molecular weight of 92.14 g/mol. Its IUPAC name is 3-azaniumyloxypropylazanium.

Molecular Properties

Compound Name3-azaniumyloxypropylazanium
PubChem CID24916920
Molecular FormulaC3H12N2O+2
Molecular Weight92.14 g/mol
Exact Mass92.09
IUPAC Name3-azaniumyloxypropylazanium
SMILES[NH3+]CCCO[NH3+]
InChIInChI=1S/C3H11N2O/c4-2-1-3-6-5/h1-4H2,5H3/q+1/p+1
InChIKeyQBWQFFCLQZPSJI-UHFFFAOYSA-O
XLogP-2.21
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 5-2.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-azaniumyloxypropylazanium?
The IUPAC name of 3-azaniumyloxypropylazanium (CID 24916920) is 3-azaniumyloxypropylazanium.
What is the SMILES notation for 3-azaniumyloxypropylazanium?
The canonical SMILES for 3-azaniumyloxypropylazanium is [NH3+]CCCO[NH3+].
What is the InChIKey of 3-azaniumyloxypropylazanium?
The InChIKey is QBWQFFCLQZPSJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H11N2O/c4-2-1-3-6-5/h1-4H2,5H3/q+1/p+1.
What are the key properties of 3-azaniumyloxypropylazanium?
3-azaniumyloxypropylazanium has a molecular weight of 92.14 g/mol, XLogP of -2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaniumyloxypropylazanium is sourced from PubChem (CID 24916920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).