tert-butyl-[2-(pentylazaniumyl)ethyl]azanium

C11H28N2+2 — CID 7172001

IUPACtert-butyl-[2-(pentylazaniumyl)ethyl]azanium
SMILESCCCCC[NH2+]CC[NH2+]C(C)(C)C
InChIInChI=1S/C11H26N2/c1-5-6-7-8-12-9-10-13-11(2,3)4/h12-13H,5-10H2,1-4H3/p+2
InChIKeyWSMMHWPHZZQNAP-UHFFFAOYSA-P
MW188.36 g/mol
LogP0.10
Rot. Bonds7

About tert-butyl-[2-(pentylazaniumyl)ethyl]azanium

tert-butyl-[2-(pentylazaniumyl)ethyl]azanium (PubChem CID 7172001) has the molecular formula C11H28N2+2 and a molecular weight of 188.36 g/mol. Its IUPAC name is tert-butyl-[2-(pentylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Nametert-butyl-[2-(pentylazaniumyl)ethyl]azanium
PubChem CID7172001
Molecular FormulaC11H28N2+2
Molecular Weight188.36 g/mol
Exact Mass188.22
IUPAC Nametert-butyl-[2-(pentylazaniumyl)ethyl]azanium
SMILESCCCCC[NH2+]CC[NH2+]C(C)(C)C
InChIInChI=1S/C11H26N2/c1-5-6-7-8-12-9-10-13-11(2,3)4/h12-13H,5-10H2,1-4H3/p+2
InChIKeyWSMMHWPHZZQNAP-UHFFFAOYSA-P
XLogP0.10
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 50.10
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

tert-butyl-[2-(hexylazaniumyl)ethyl]azanium
CID 7172003
didodecylazanium fluoride
CID 87135434
butyl(dodecyl)azanium
CID 91941247
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
dioctadecylazanium tetrafluoroborate
CID 140565722
ethyl(tridecyl)azanium iodide
CID 88651524
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
decyl-[6-(decylazaniumyl)hexyl]-dimethylazanium
CID 131700914
dotetracontyl(2,2,2-trihydroxyethyl)azanium bromide
CID 141296843
4-azaniumylbutyl(tert-butyl)azanium dichloride
CID 15852
dibutylazanium hexafluorophosphate
CID 23620950

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(pentylazaniumyl)ethyl]azanium?
The IUPAC name of tert-butyl-[2-(pentylazaniumyl)ethyl]azanium (CID 7172001) is tert-butyl-[2-(pentylazaniumyl)ethyl]azanium.
What is the SMILES notation for tert-butyl-[2-(pentylazaniumyl)ethyl]azanium?
The canonical SMILES for tert-butyl-[2-(pentylazaniumyl)ethyl]azanium is CCCCC[NH2+]CC[NH2+]C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(pentylazaniumyl)ethyl]azanium?
The InChIKey is WSMMHWPHZZQNAP-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H26N2/c1-5-6-7-8-12-9-10-13-11(2,3)4/h12-13H,5-10H2,1-4H3/p+2.
What are the key properties of tert-butyl-[2-(pentylazaniumyl)ethyl]azanium?
tert-butyl-[2-(pentylazaniumyl)ethyl]azanium has a molecular weight of 188.36 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(pentylazaniumyl)ethyl]azanium is sourced from PubChem (CID 7172001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).