triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium

C25H34N+ — CID 173241812

IUPACtriethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium
SMILESCC[N+](CC)(CC)c1ccc(-c2cccc3c2C=C(CC(C)C)C3)cc1
InChIInChI=1S/C25H34N/c1-6-26(7-2,8-3)23-14-12-21(13-15-23)24-11-9-10-22-17-20(16-19(4)5)18-25(22)24/h9-15,18-19H,6-8,16-17H2,1-5H3/q+1
InChIKeyQBZBZHHWSXWGSF-UHFFFAOYSA-N
MW348.55 g/mol
LogP6.71
Rot. Bonds7

About triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium

triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium (PubChem CID 173241812) has the molecular formula C25H34N+ and a molecular weight of 348.55 g/mol. Its IUPAC name is triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium.

Molecular Properties

Compound Nametriethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium
PubChem CID173241812
Molecular FormulaC25H34N+
Molecular Weight348.55 g/mol
Exact Mass348.27
IUPAC Nametriethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium
SMILESCC[N+](CC)(CC)c1ccc(-c2cccc3c2C=C(CC(C)C)C3)cc1
InChIInChI=1S/C25H34N/c1-6-26(7-2,8-3)23-14-12-21(13-15-23)24-11-9-10-22-17-20(16-19(4)5)18-25(22)24/h9-15,18-19H,6-8,16-17H2,1-5H3/q+1
InChIKeyQBZBZHHWSXWGSF-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 56.71
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

4-(2-ethylphenyl)-2-(2-methylpropyl)-1H-indene
CID 87905875
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87673964
2-(cyclohexylmethyl)-4-(4-ethylphenyl)-1H-indene
CID 87473753
4-(4-butan-2-ylphenyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563322
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
4-(2-methylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87702877
4-(2-ethylphenyl)-2-(2-methylpropyl)-5-propyl-1H-indene
CID 87703800
2-(2-methylpropyl)-4-phenyl-5-propyl-1H-indene
CID 87703739
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole
CID 173192551

Frequently Asked Questions

What is the IUPAC name of triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium?
The IUPAC name of triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium (CID 173241812) is triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium.
What is the SMILES notation for triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium?
The canonical SMILES for triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium is CC[N+](CC)(CC)c1ccc(-c2cccc3c2C=C(CC(C)C)C3)cc1.
What is the InChIKey of triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium?
The InChIKey is QBZBZHHWSXWGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N/c1-6-26(7-2,8-3)23-14-12-21(13-15-23)24-11-9-10-22-17-20(16-19(4)5)18-25(22)24/h9-15,18-19H,6-8,16-17H2,1-5H3/q+1.
What are the key properties of triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium?
triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium has a molecular weight of 348.55 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium is sourced from PubChem (CID 173241812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).