propyl-bis[2-(propylazaniumyl)ethyl]azanium

C13H34N3+3 — CID 7244692

IUPACpropyl-bis[2-(propylazaniumyl)ethyl]azanium
SMILESCCC[NH2+]CC[NH+](CCC)CC[NH2+]CCC
InChIInChI=1S/C13H31N3/c1-4-7-14-9-12-16(11-6-3)13-10-15-8-5-2/h14-15H,4-13H2,1-3H3/p+3
InChIKeyAIEQYGOJLAXJNN-UHFFFAOYSA-Q
MW232.44 g/mol
LogP-1.77
Rot. Bonds12

About propyl-bis[2-(propylazaniumyl)ethyl]azanium

propyl-bis[2-(propylazaniumyl)ethyl]azanium (PubChem CID 7244692) has the molecular formula C13H34N3+3 and a molecular weight of 232.44 g/mol. Its IUPAC name is propyl-bis[2-(propylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Namepropyl-bis[2-(propylazaniumyl)ethyl]azanium
PubChem CID7244692
Molecular FormulaC13H34N3+3
Molecular Weight232.44 g/mol
Exact Mass232.27
IUPAC Namepropyl-bis[2-(propylazaniumyl)ethyl]azanium
SMILESCCC[NH2+]CC[NH+](CCC)CC[NH2+]CCC
InChIInChI=1S/C13H31N3/c1-4-7-14-9-12-16(11-6-3)13-10-15-8-5-2/h14-15H,4-13H2,1-3H3/p+3
InChIKeyAIEQYGOJLAXJNN-UHFFFAOYSA-Q
XLogP-1.77
TPSA37.66 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dipropylazanium dichloride
CID 23338822
hexafluoroarsenic(1-);tripropylazanium
CID 45048798
ethanol;tripropylazanium;hydroxide
CID 21313535
dibutyl(propyl)azanium;propane
CID 176561403
tripentylazanium
CID 6993016
dibutyl(octadecyl)azanium
CID 18405855
tridodecylazanium iodide
CID 23216258
didodecylazanium fluoride
CID 87135434
trihexylazanium bromide
CID 54105866
butyl(dodecyl)azanium
CID 91941247
trioctylazanium hydroxide
CID 22253318
dodecanoate;tripropylazanium
CID 139301601

Frequently Asked Questions

What is the IUPAC name of propyl-bis[2-(propylazaniumyl)ethyl]azanium?
The IUPAC name of propyl-bis[2-(propylazaniumyl)ethyl]azanium (CID 7244692) is propyl-bis[2-(propylazaniumyl)ethyl]azanium.
What is the SMILES notation for propyl-bis[2-(propylazaniumyl)ethyl]azanium?
The canonical SMILES for propyl-bis[2-(propylazaniumyl)ethyl]azanium is CCC[NH2+]CC[NH+](CCC)CC[NH2+]CCC.
What is the InChIKey of propyl-bis[2-(propylazaniumyl)ethyl]azanium?
The InChIKey is AIEQYGOJLAXJNN-UHFFFAOYSA-Q. The full InChI is InChI=1S/C13H31N3/c1-4-7-14-9-12-16(11-6-3)13-10-15-8-5-2/h14-15H,4-13H2,1-3H3/p+3.
What are the key properties of propyl-bis[2-(propylazaniumyl)ethyl]azanium?
propyl-bis[2-(propylazaniumyl)ethyl]azanium has a molecular weight of 232.44 g/mol, XLogP of -1.77, 12 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-bis[2-(propylazaniumyl)ethyl]azanium is sourced from PubChem (CID 7244692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).