3-azaniumylpropyl(methyl)azanium

C4H14N2+2 — CID 6992742

IUPAC3-azaniumylpropyl(methyl)azanium
SMILESC[NH2+]CCC[NH3+]
InChIInChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3/p+2
InChIKeyQHJABUZHRJTCAR-UHFFFAOYSA-P
MW90.17 g/mol
LogP-2.19
Rot. Bonds3

About 3-azaniumylpropyl(methyl)azanium

3-azaniumylpropyl(methyl)azanium (PubChem CID 6992742) has the molecular formula C4H14N2+2 and a molecular weight of 90.17 g/mol. Its IUPAC name is 3-azaniumylpropyl(methyl)azanium.

Molecular Properties

Compound Name3-azaniumylpropyl(methyl)azanium
PubChem CID6992742
Molecular FormulaC4H14N2+2
Molecular Weight90.17 g/mol
Exact Mass90.11
IUPAC Name3-azaniumylpropyl(methyl)azanium
SMILESC[NH2+]CCC[NH3+]
InChIInChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3/p+2
InChIKeyQHJABUZHRJTCAR-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'}

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Related Compounds

6-(methylazaniumyl)hexan-1-olate
CID 101435332
dimethyl-[3-(methylazaniumyl)propyl]azanium
CID 7019640
3-trimethoxysilylpropylazanium chloride
CID 11390286
3-[amino(methyl)amino]propyl-methylazanium
CID 140709532
butyl(methyl)azanium nitrate
CID 134897425
4-azaniumylbutyl(tert-butyl)azanium dichloride
CID 15852
butylazanium;hydride
CID 141334193
methyl(3-oxopropyl)azanium chloride
CID 160838803
dodecyl(methyl)azanium nitrate
CID 161374202
methyl(tridecyl)azanium sulfate
CID 138754430
butyl(methyl)azanium;hydrogen sulfate
CID 156631435
2-hydroxyethyl(methyl)azanium iodide
CID 87299375

Frequently Asked Questions

What is the IUPAC name of 3-azaniumylpropyl(methyl)azanium?
The IUPAC name of 3-azaniumylpropyl(methyl)azanium (CID 6992742) is 3-azaniumylpropyl(methyl)azanium.
What is the SMILES notation for 3-azaniumylpropyl(methyl)azanium?
The canonical SMILES for 3-azaniumylpropyl(methyl)azanium is C[NH2+]CCC[NH3+].
What is the InChIKey of 3-azaniumylpropyl(methyl)azanium?
The InChIKey is QHJABUZHRJTCAR-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3/p+2.
What are the key properties of 3-azaniumylpropyl(methyl)azanium?
3-azaniumylpropyl(methyl)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 3-azaniumylpropyl(methyl)azanium is sourced from PubChem (CID 6992742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).