butyl-dimethyl-pentadecylazanium

C21H46N+ — CID 58827785

IUPACbutyl-dimethyl-pentadecylazanium
SMILESCCCCCCCCCCCCCCC[N+](C)(C)CCCC
InChIInChI=1S/C21H46N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22(3,4)20-8-6-2/h5-21H2,1-4H3/q+1
InChIKeyCKJRIIJUWPTYDZ-UHFFFAOYSA-N
MW312.61 g/mol
LogP6.95
Rot. Bonds17

About butyl-dimethyl-pentadecylazanium

butyl-dimethyl-pentadecylazanium (PubChem CID 58827785) has the molecular formula C21H46N+ and a molecular weight of 312.61 g/mol. Its IUPAC name is butyl-dimethyl-pentadecylazanium.

Molecular Properties

Compound Namebutyl-dimethyl-pentadecylazanium
PubChem CID58827785
Molecular FormulaC21H46N+
Molecular Weight312.61 g/mol
Exact Mass312.36
IUPAC Namebutyl-dimethyl-pentadecylazanium
SMILESCCCCCCCCCCCCCCC[N+](C)(C)CCCC
InChIInChI=1S/C21H46N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22(3,4)20-8-6-2/h5-21H2,1-4H3/q+1
InChIKeyCKJRIIJUWPTYDZ-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 56.95
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 butyl-dimethyl-pentadecylazanium 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

butyl-dodecyl-dimethylazanium iodide
CID 10524862
decyl-heptadecyl-dimethylazanium
CID 22158969
dodecyl-dimethyl-undecylazanium
CID 21491028
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
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-pentadecylazanium?
The IUPAC name of butyl-dimethyl-pentadecylazanium (CID 58827785) is butyl-dimethyl-pentadecylazanium.
What is the SMILES notation for butyl-dimethyl-pentadecylazanium?
The canonical SMILES for butyl-dimethyl-pentadecylazanium is CCCCCCCCCCCCCCC[N+](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-pentadecylazanium?
The InChIKey is CKJRIIJUWPTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-22(3,4)20-8-6-2/h5-21H2,1-4H3/q+1.
What are the key properties of butyl-dimethyl-pentadecylazanium?
butyl-dimethyl-pentadecylazanium has a molecular weight of 312.61 g/mol, XLogP of 6.95, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-pentadecylazanium is sourced from PubChem (CID 58827785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).