dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium

C25H40N+ — CID 54360495

IUPACdodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H40N/c1-4-5-6-7-8-9-10-11-12-15-20-26(2,3)22-23-18-19-24-16-13-14-17-25(24)21-23/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3/q+1
InChIKeyUXZIAFTYWCBBGF-UHFFFAOYSA-N
MW354.60 g/mol
LogP7.34
Rot. Bonds13

About dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium

dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium (PubChem CID 54360495) has the molecular formula C25H40N+ and a molecular weight of 354.60 g/mol. Its IUPAC name is dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium.

Molecular Properties

Compound Namedodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium
PubChem CID54360495
Molecular FormulaC25H40N+
Molecular Weight354.60 g/mol
Exact Mass354.32
IUPAC Namedodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H40N/c1-4-5-6-7-8-9-10-11-12-15-20-26(2,3)22-23-18-19-24-16-13-14-17-25(24)21-23/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3/q+1
InChIKeyUXZIAFTYWCBBGF-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 57.34
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 dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium 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

3-[dimethyl(naphthalen-2-ylmethyl)azaniumyl]propyl-dimethyl-(naphthalen-2-ylmethyl)azanium
CID 102313152
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719
benzyl-heptyl-dimethylazanium chloride
CID 23274918
benzyl-dodecyl-dimethylazanium bromide
CID 23705
benzyl-hexadecyl-dimethylazanium;hydrobromide
CID 174689063
benzyl-dimethyl-octylazanium;benzyl-dodecyl-dimethylazanium;difluoride
CID 162146991
azane;benzyl-dimethyl-octadecylazanium;hydrochloride
CID 174832079
lithium;benzyl-dimethyl-octadecylazanium;hydride
CID 174582976
bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
CID 158851998

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium?
The IUPAC name of dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium (CID 54360495) is dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium.
What is the SMILES notation for dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium?
The canonical SMILES for dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium is CCCCCCCCCCCC[N+](C)(C)Cc1ccc2ccccc2c1.
What is the InChIKey of dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium?
The InChIKey is UXZIAFTYWCBBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N/c1-4-5-6-7-8-9-10-11-12-15-20-26(2,3)22-23-18-19-24-16-13-14-17-25(24)21-23/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3/q+1.
What are the key properties of dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium?
dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium has a molecular weight of 354.60 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-(naphthalen-2-ylmethyl)azanium is sourced from PubChem (CID 54360495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).