tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium

C30H66N2+2 — CID 11498166

IUPACtripropyl-[12-(tripropylazaniumyl)dodecyl]azanium
SMILESCCC[N+](CCC)(CCC)CCCCCCCCCCCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C30H66N2/c1-7-23-31(24-8-2,25-9-3)29-21-19-17-15-13-14-16-18-20-22-30-32(26-10-4,27-11-5)28-12-6/h7-30H2,1-6H3/q+2
InChIKeyUZFBFLPJRXOBSC-UHFFFAOYSA-N
MW454.87 g/mol
LogP8.98
Rot. Bonds25

About tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium

tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium (PubChem CID 11498166) has the molecular formula C30H66N2+2 and a molecular weight of 454.87 g/mol. Its IUPAC name is tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium.

Molecular Properties

Compound Nametripropyl-[12-(tripropylazaniumyl)dodecyl]azanium
PubChem CID11498166
Molecular FormulaC30H66N2+2
Molecular Weight454.87 g/mol
Exact Mass454.52
IUPAC Nametripropyl-[12-(tripropylazaniumyl)dodecyl]azanium
SMILESCCC[N+](CCC)(CCC)CCCCCCCCCCCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C30H66N2/c1-7-23-31(24-8-2,25-9-3)29-21-19-17-15-13-14-16-18-20-22-30-32(26-10-4,27-11-5)28-12-6/h7-30H2,1-6H3/q+2
InChIKeyUZFBFLPJRXOBSC-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.87
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium?
The IUPAC name of tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium (CID 11498166) is tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium.
What is the SMILES notation for tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium?
The canonical SMILES for tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium is CCC[N+](CCC)(CCC)CCCCCCCCCCCC[N+](CCC)(CCC)CCC.
What is the InChIKey of tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium?
The InChIKey is UZFBFLPJRXOBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66N2/c1-7-23-31(24-8-2,25-9-3)29-21-19-17-15-13-14-16-18-20-22-30-32(26-10-4,27-11-5)28-12-6/h7-30H2,1-6H3/q+2.
What are the key properties of tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium?
tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium has a molecular weight of 454.87 g/mol, XLogP of 8.98, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl-[12-(tripropylazaniumyl)dodecyl]azanium is sourced from PubChem (CID 11498166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).