decyl-heptadecyl-dimethylazanium

C29H62N+ — CID 22158969

IUPACdecyl-heptadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C29H62N/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-30(3,4)28-26-24-22-14-12-10-8-6-2/h5-29H2,1-4H3/q+1
InChIKeyWLCMYOFLFKJAMR-UHFFFAOYSA-N
MW424.82 g/mol
LogP10.07
Rot. Bonds25

About decyl-heptadecyl-dimethylazanium

decyl-heptadecyl-dimethylazanium (PubChem CID 22158969) has the molecular formula C29H62N+ and a molecular weight of 424.82 g/mol. Its IUPAC name is decyl-heptadecyl-dimethylazanium.

Molecular Properties

Compound Namedecyl-heptadecyl-dimethylazanium
PubChem CID22158969
Molecular FormulaC29H62N+
Molecular Weight424.82 g/mol
Exact Mass424.49
IUPAC Namedecyl-heptadecyl-dimethylazanium
SMILESCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChIInChI=1S/C29H62N/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-30(3,4)28-26-24-22-14-12-10-8-6-2/h5-29H2,1-4H3/q+1
InChIKeyWLCMYOFLFKJAMR-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 510.07
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'}

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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-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of decyl-heptadecyl-dimethylazanium?
The IUPAC name of decyl-heptadecyl-dimethylazanium (CID 22158969) is decyl-heptadecyl-dimethylazanium.
What is the SMILES notation for decyl-heptadecyl-dimethylazanium?
The canonical SMILES for decyl-heptadecyl-dimethylazanium is CCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC.
What is the InChIKey of decyl-heptadecyl-dimethylazanium?
The InChIKey is WLCMYOFLFKJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62N/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-30(3,4)28-26-24-22-14-12-10-8-6-2/h5-29H2,1-4H3/q+1.
What are the key properties of decyl-heptadecyl-dimethylazanium?
decyl-heptadecyl-dimethylazanium has a molecular weight of 424.82 g/mol, XLogP of 10.07, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-heptadecyl-dimethylazanium is sourced from PubChem (CID 22158969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).