ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium

C23H32N+ — CID 159427465

IUPACethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium
SMILESC=C[N+](CC)(CC)C(Cc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H32N/c1-6-24(7-2,8-3)23(18-20-12-10-9-11-13-20)22-16-14-21(15-17-22)19(4)5/h6,9-17,19,23H,1,7-8,18H2,2-5H3/q+1
InChIKeyHDFOYAHPYWCFRA-UHFFFAOYSA-N
MW322.52 g/mol
LogP6.09
Rot. Bonds8

About ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium

ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium (PubChem CID 159427465) has the molecular formula C23H32N+ and a molecular weight of 322.52 g/mol. Its IUPAC name is ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium.

Molecular Properties

Compound Nameethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium
PubChem CID159427465
Molecular FormulaC23H32N+
Molecular Weight322.52 g/mol
Exact Mass322.25
IUPAC Nameethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium
SMILESC=C[N+](CC)(CC)C(Cc1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H32N/c1-6-24(7-2,8-3)23(18-20-12-10-9-11-13-20)22-16-14-21(15-17-22)19(4)5/h6,9-17,19,23H,1,7-8,18H2,2-5H3/q+1
InChIKeyHDFOYAHPYWCFRA-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride
CID 88731072
[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride
CID 88761112
1,2-diphenylethyl-ethyl-dimethylazanium chloride
CID 175355972
cumene;ethylbenzene;methane
CID 159529846
2-benzyl-3-(4-propan-2-ylphenyl)propanal
CID 170555574
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
didodecyl-ethenyl-(1-phenyltridecyl)azanium
CID 87960569
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
cumene;2-methylpropane;propane
CID 158125037
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium?
The IUPAC name of ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium (CID 159427465) is ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium.
What is the SMILES notation for ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium?
The canonical SMILES for ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium is C=C[N+](CC)(CC)C(Cc1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium?
The InChIKey is HDFOYAHPYWCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N/c1-6-24(7-2,8-3)23(18-20-12-10-9-11-13-20)22-16-14-21(15-17-22)19(4)5/h6,9-17,19,23H,1,7-8,18H2,2-5H3/q+1.
What are the key properties of ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium?
ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium has a molecular weight of 322.52 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium is sourced from PubChem (CID 159427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).