dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium

C34H75N3+2 — CID 102401794

IUPACdodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCNCCC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C34H75N3/c1-7-9-11-13-15-17-19-21-23-25-31-36(3,4)33-27-29-35-30-28-34-37(5,6)32-26-24-22-20-18-16-14-12-10-8-2/h35H,7-34H2,1-6H3/q+2
InChIKeyBVFDAPXGGKFTMX-UHFFFAOYSA-N
MW526.00 g/mol
LogP9.35
Rot. Bonds30

About dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium

dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium (PubChem CID 102401794) has the molecular formula C34H75N3+2 and a molecular weight of 526.00 g/mol. Its IUPAC name is dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium.

Molecular Properties

Compound Namedodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium
PubChem CID102401794
Molecular FormulaC34H75N3+2
Molecular Weight526.00 g/mol
Exact Mass525.60
IUPAC Namedodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCNCCC[N+](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C34H75N3/c1-7-9-11-13-15-17-19-21-23-25-31-36(3,4)33-27-29-35-30-28-34-37(5,6)32-26-24-22-20-18-16-14-12-10-8-2/h35H,7-34H2,1-6H3/q+2
InChIKeyBVFDAPXGGKFTMX-UHFFFAOYSA-N
XLogP9.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.00
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl-[3-(octadecylamino)propyl]-tetradecylazanium
CID 141224619
3-(hexadecylamino)propyl-dimethyl-tetradecylazanium
CID 175110689
decyl-[[4-[decyl(dimethyl)azaniumyl]butylamino]methyl]-dimethylazanium
CID 175685948
hexadecyl-[[4-[hexadecyl(dimethyl)azaniumyl]butylamino]methyl]-dimethylazanium
CID 175685485
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280

Frequently Asked Questions

What is the IUPAC name of dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium?
The IUPAC name of dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium (CID 102401794) is dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium.
What is the SMILES notation for dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium?
The canonical SMILES for dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)CCCNCCC[N+](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium?
The InChIKey is BVFDAPXGGKFTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H75N3/c1-7-9-11-13-15-17-19-21-23-25-31-36(3,4)33-27-29-35-30-28-34-37(5,6)32-26-24-22-20-18-16-14-12-10-8-2/h35H,7-34H2,1-6H3/q+2.
What are the key properties of dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium?
dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium has a molecular weight of 526.00 g/mol, XLogP of 9.35, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-[3-[3-[dodecyl(dimethyl)azaniumyl]propylamino]propyl]-dimethylazanium is sourced from PubChem (CID 102401794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).