boranuide;hexadecyl-hexyl-dimethylazanium

C24H56BN — CID 173258453

IUPACboranuide;hexadecyl-hexyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC.[BH4-]
InChIInChI=1S/C24H52N.BH4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-25(3,4)23-21-10-8-6-2;/h5-24H2,1-4H3;1H4/q+1;-1
InChIKeyIKAPHZDDBSEIIO-UHFFFAOYSA-N
MW369.53 g/mol
LogP6.67
Rot. Bonds20

About boranuide;hexadecyl-hexyl-dimethylazanium

boranuide;hexadecyl-hexyl-dimethylazanium (PubChem CID 173258453) has the molecular formula C24H56BN and a molecular weight of 369.53 g/mol. Its IUPAC name is boranuide;hexadecyl-hexyl-dimethylazanium.

Molecular Properties

Compound Nameboranuide;hexadecyl-hexyl-dimethylazanium
PubChem CID173258453
Molecular FormulaC24H56BN
Molecular Weight369.53 g/mol
Exact Mass369.45
IUPAC Nameboranuide;hexadecyl-hexyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC.[BH4-]
InChIInChI=1S/C24H52N.BH4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-25(3,4)23-21-10-8-6-2;/h5-24H2,1-4H3;1H4/q+1;-1
InChIKeyIKAPHZDDBSEIIO-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413

Frequently Asked Questions

What is the IUPAC name of boranuide;hexadecyl-hexyl-dimethylazanium?
The IUPAC name of boranuide;hexadecyl-hexyl-dimethylazanium (CID 173258453) is boranuide;hexadecyl-hexyl-dimethylazanium.
What is the SMILES notation for boranuide;hexadecyl-hexyl-dimethylazanium?
The canonical SMILES for boranuide;hexadecyl-hexyl-dimethylazanium is CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC.[BH4-].
What is the InChIKey of boranuide;hexadecyl-hexyl-dimethylazanium?
The InChIKey is IKAPHZDDBSEIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N.BH4/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-25(3,4)23-21-10-8-6-2;/h5-24H2,1-4H3;1H4/q+1;-1.
What are the key properties of boranuide;hexadecyl-hexyl-dimethylazanium?
boranuide;hexadecyl-hexyl-dimethylazanium has a molecular weight of 369.53 g/mol, XLogP of 6.67, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;hexadecyl-hexyl-dimethylazanium is sourced from PubChem (CID 173258453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).