dimethyl-phenyl-(1-phenyldecyl)azanium

C24H36N+ — CID 158496096

IUPACdimethyl-phenyl-(1-phenyldecyl)azanium
SMILESCCCCCCCCCC(c1ccccc1)[N+](C)(C)c1ccccc1
InChIInChI=1S/C24H36N/c1-4-5-6-7-8-9-16-21-24(22-17-12-10-13-18-22)25(2,3)23-19-14-11-15-20-23/h10-15,17-20,24H,4-9,16,21H2,1-3H3/q+1
InChIKeyOFBKOWDOHCWCQF-UHFFFAOYSA-N
MW338.56 g/mol
LogP7.14
Rot. Bonds11

About dimethyl-phenyl-(1-phenyldecyl)azanium

dimethyl-phenyl-(1-phenyldecyl)azanium (PubChem CID 158496096) has the molecular formula C24H36N+ and a molecular weight of 338.56 g/mol. Its IUPAC name is dimethyl-phenyl-(1-phenyldecyl)azanium.

Molecular Properties

Compound Namedimethyl-phenyl-(1-phenyldecyl)azanium
PubChem CID158496096
Molecular FormulaC24H36N+
Molecular Weight338.56 g/mol
Exact Mass338.28
IUPAC Namedimethyl-phenyl-(1-phenyldecyl)azanium
SMILESCCCCCCCCCC(c1ccccc1)[N+](C)(C)c1ccccc1
InChIInChI=1S/C24H36N/c1-4-5-6-7-8-9-16-21-24(22-17-12-10-13-18-22)25(2,3)23-19-14-11-15-20-23/h10-15,17-20,24H,4-9,16,21H2,1-3H3/q+1
InChIKeyOFBKOWDOHCWCQF-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 57.14
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

trimethyl(1-phenyloctadecyl)azanium
CID 21424303
trimethyl(1-phenyloctadecyl)azanium chloride
CID 21424302
ethyl-dimethyl-(1-phenyloctadecyl)azanium
CID 140807107
ethyl-dimethyl-(1-phenylpentadecyl)azanium
CID 87218313
ethyl-dimethyl-(1-phenylhenicosyl)azanium
CID 140807119
dimethyl-octadecyl-(1-phenylundecyl)azanium
CID 159563872
ethyl-dimethyl-(1-phenylundecyl)azanium chloride
CID 140807120
ethyl-dimethyl-(1-phenylnonyl)azanium chloride
CID 88733458
hexadecyl-dimethyl-(1-phenyltridecyl)azanium chloride
CID 139891430
acetamido-dimethyl-(1-phenyltridecyl)azanium
CID 88671794
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-(1-phenyldecyl)azanium?
The IUPAC name of dimethyl-phenyl-(1-phenyldecyl)azanium (CID 158496096) is dimethyl-phenyl-(1-phenyldecyl)azanium.
What is the SMILES notation for dimethyl-phenyl-(1-phenyldecyl)azanium?
The canonical SMILES for dimethyl-phenyl-(1-phenyldecyl)azanium is CCCCCCCCCC(c1ccccc1)[N+](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-(1-phenyldecyl)azanium?
The InChIKey is OFBKOWDOHCWCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N/c1-4-5-6-7-8-9-16-21-24(22-17-12-10-13-18-22)25(2,3)23-19-14-11-15-20-23/h10-15,17-20,24H,4-9,16,21H2,1-3H3/q+1.
What are the key properties of dimethyl-phenyl-(1-phenyldecyl)azanium?
dimethyl-phenyl-(1-phenyldecyl)azanium has a molecular weight of 338.56 g/mol, XLogP of 7.14, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-(1-phenyldecyl)azanium is sourced from PubChem (CID 158496096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).