hexadecylazanide;bis(trimethyl(propyl)azanium);bromide

C28H66BrN3 — CID 156777196

IUPAChexadecylazanide;bis(trimethyl(propyl)azanium);bromide
SMILESCCCCCCCCCCCCCCCC[NH-].CCC[N+](C)(C)C.CCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C16H34N.2C6H16N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;2*1-5-6-7(2,3)4;/h17H,2-16H2,1H3;2*5-6H2,1-4H3;1H/q-1;2*+1;/p-1
InChIKeyIDPOZOBPTVRPHD-UHFFFAOYSA-M
MW524.76 g/mol
LogP5.73
Rot. Bonds18

About hexadecylazanide;bis(trimethyl(propyl)azanium);bromide

hexadecylazanide;bis(trimethyl(propyl)azanium);bromide (PubChem CID 156777196) has the molecular formula C28H66BrN3 and a molecular weight of 524.76 g/mol. Its IUPAC name is hexadecylazanide;bis(trimethyl(propyl)azanium);bromide.

Molecular Properties

Compound Namehexadecylazanide;bis(trimethyl(propyl)azanium);bromide
PubChem CID156777196
Molecular FormulaC28H66BrN3
Molecular Weight524.76 g/mol
Exact Mass523.44
IUPAC Namehexadecylazanide;bis(trimethyl(propyl)azanium);bromide
SMILESCCCCCCCCCCCCCCCC[NH-].CCC[N+](C)(C)C.CCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C16H34N.2C6H16N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;2*1-5-6-7(2,3)4;/h17H,2-16H2,1H3;2*5-6H2,1-4H3;1H/q-1;2*+1;/p-1
InChIKeyIDPOZOBPTVRPHD-UHFFFAOYSA-M
XLogP5.73
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.76
LogP ≤ 55.73
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 hexadecylazanide;bis(trimethyl(propyl)azanium);bromide 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

bis(dimethyl-propyl-tetradecylazanium);hexadecylazanide;bromide
CID 141423048
bis(hexadecyl-dimethyl-propylazanium);octadecylazanide;bromide
CID 141423052
bis(dodecyl-dimethyl-propylazanium);octadecylazanide;chloride
CID 141423050
trimethyl(pentacontyl)azanium bromide
CID 118223247
beryllium hexylazanide
CID 139799741
potassium hexylazanide
CID 139799691
azane;trimethyl(octyl)azanium;bromide
CID 175301747
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
trimethyl(tetradecyl)azanium
CID 14251
decylazanide;zirconium(3+);dichloride
CID 161293267

Frequently Asked Questions

What is the IUPAC name of hexadecylazanide;bis(trimethyl(propyl)azanium);bromide?
The IUPAC name of hexadecylazanide;bis(trimethyl(propyl)azanium);bromide (CID 156777196) is hexadecylazanide;bis(trimethyl(propyl)azanium);bromide.
What is the SMILES notation for hexadecylazanide;bis(trimethyl(propyl)azanium);bromide?
The canonical SMILES for hexadecylazanide;bis(trimethyl(propyl)azanium);bromide is CCCCCCCCCCCCCCCC[NH-].CCC[N+](C)(C)C.CCC[N+](C)(C)C.[Br-].
What is the InChIKey of hexadecylazanide;bis(trimethyl(propyl)azanium);bromide?
The InChIKey is IDPOZOBPTVRPHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34N.2C6H16N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;2*1-5-6-7(2,3)4;/h17H,2-16H2,1H3;2*5-6H2,1-4H3;1H/q-1;2*+1;/p-1.
What are the key properties of hexadecylazanide;bis(trimethyl(propyl)azanium);bromide?
hexadecylazanide;bis(trimethyl(propyl)azanium);bromide has a molecular weight of 524.76 g/mol, XLogP of 5.73, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecylazanide;bis(trimethyl(propyl)azanium);bromide is sourced from PubChem (CID 156777196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).