triethyl-[12-(triethylazaniumyl)dodecyl]azanium

C24H54N2+2 — CID 10697514

IUPACtriethyl-[12-(triethylazaniumyl)dodecyl]azanium
SMILESCC[N+](CC)(CC)CCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C24H54N2/c1-7-25(8-2,9-3)23-21-19-17-15-13-14-16-18-20-22-24-26(10-4,11-5)12-6/h7-24H2,1-6H3/q+2
InChIKeyPAXLJBJIRDJUTN-UHFFFAOYSA-N
MW370.71 g/mol
LogP6.64
Rot. Bonds19

About triethyl-[12-(triethylazaniumyl)dodecyl]azanium

triethyl-[12-(triethylazaniumyl)dodecyl]azanium (PubChem CID 10697514) has the molecular formula C24H54N2+2 and a molecular weight of 370.71 g/mol. Its IUPAC name is triethyl-[12-(triethylazaniumyl)dodecyl]azanium.

Molecular Properties

Compound Nametriethyl-[12-(triethylazaniumyl)dodecyl]azanium
PubChem CID10697514
Molecular FormulaC24H54N2+2
Molecular Weight370.71 g/mol
Exact Mass370.43
IUPAC Nametriethyl-[12-(triethylazaniumyl)dodecyl]azanium
SMILESCC[N+](CC)(CC)CCCCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C24H54N2/c1-7-25(8-2,9-3)23-21-19-17-15-13-14-16-18-20-22-24-26(10-4,11-5)12-6/h7-24H2,1-6H3/q+2
InChIKeyPAXLJBJIRDJUTN-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 56.64
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'}

Analyze triethyl-[12-(triethylazaniumyl)dodecyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[12-(triethylazaniumyl)dodecyl]azanium?
The IUPAC name of triethyl-[12-(triethylazaniumyl)dodecyl]azanium (CID 10697514) is triethyl-[12-(triethylazaniumyl)dodecyl]azanium.
What is the SMILES notation for triethyl-[12-(triethylazaniumyl)dodecyl]azanium?
The canonical SMILES for triethyl-[12-(triethylazaniumyl)dodecyl]azanium is CC[N+](CC)(CC)CCCCCCCCCCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[12-(triethylazaniumyl)dodecyl]azanium?
The InChIKey is PAXLJBJIRDJUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N2/c1-7-25(8-2,9-3)23-21-19-17-15-13-14-16-18-20-22-24-26(10-4,11-5)12-6/h7-24H2,1-6H3/q+2.
What are the key properties of triethyl-[12-(triethylazaniumyl)dodecyl]azanium?
triethyl-[12-(triethylazaniumyl)dodecyl]azanium has a molecular weight of 370.71 g/mol, XLogP of 6.64, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[12-(triethylazaniumyl)dodecyl]azanium is sourced from PubChem (CID 10697514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).