2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline

C21H26N2 — CID 123665927

IUPAC2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline
SMILESCc1cc(N2CCC3(CCc4ccccc43)CC2)cc(C)c1N
InChIInChI=1S/C21H26N2/c1-15-13-18(14-16(2)20(15)22)23-11-9-21(10-12-23)8-7-17-5-3-4-6-19(17)21/h3-6,13-14H,7-12,22H2,1-2H3
InChIKeyGBYOXDWHRXLHJS-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.37
Rot. Bonds1

About 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline

2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline (PubChem CID 123665927) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline.

Molecular Properties

Compound Name2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline
PubChem CID123665927
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline
SMILESCc1cc(N2CCC3(CCc4ccccc43)CC2)cc(C)c1N
InChIInChI=1S/C21H26N2/c1-15-13-18(14-16(2)20(15)22)23-11-9-21(10-12-23)8-7-17-5-3-4-6-19(17)21/h3-6,13-14H,7-12,22H2,1-2H3
InChIKeyGBYOXDWHRXLHJS-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline?
The IUPAC name of 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline (CID 123665927) is 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline.
What is the SMILES notation for 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline?
The canonical SMILES for 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline is Cc1cc(N2CCC3(CCc4ccccc43)CC2)cc(C)c1N.
What is the InChIKey of 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline?
The InChIKey is GBYOXDWHRXLHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-15-13-18(14-16(2)20(15)22)23-11-9-21(10-12-23)8-7-17-5-3-4-6-19(17)21/h3-6,13-14H,7-12,22H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline?
2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline has a molecular weight of 306.45 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylaniline is sourced from PubChem (CID 123665927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).