7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane

C23H28N2 — CID 58438485

IUPAC7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC2(CC1)CN([C@@H]1CCc3cc(-c4ccccc4)ccc31)C2
InChIInChI=1S/C23H28N2/c1-24-13-11-23(12-14-24)16-25(17-23)22-10-8-20-15-19(7-9-21(20)22)18-5-3-2-4-6-18/h2-7,9,15,22H,8,10-14,16-17H2,1H3/t22-/m1/s1
InChIKeySAIROOLJLCCBIF-JOCHJYFZSA-N
MW332.49 g/mol
LogP4.37
Rot. Bonds2

About 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane

7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 58438485) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID58438485
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC2(CC1)CN([C@@H]1CCc3cc(-c4ccccc4)ccc31)C2
InChIInChI=1S/C23H28N2/c1-24-13-11-23(12-14-24)16-25(17-23)22-10-8-20-15-19(7-9-21(20)22)18-5-3-2-4-6-18/h2-7,9,15,22H,8,10-14,16-17H2,1H3/t22-/m1/s1
InChIKeySAIROOLJLCCBIF-JOCHJYFZSA-N
XLogP4.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (CID 58438485) is 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is CN1CCC2(CC1)CN([C@@H]1CCc3cc(-c4ccccc4)ccc31)C2.
What is the InChIKey of 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is SAIROOLJLCCBIF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N2/c1-24-13-11-23(12-14-24)16-25(17-23)22-10-8-20-15-19(7-9-21(20)22)18-5-3-2-4-6-18/h2-7,9,15,22H,8,10-14,16-17H2,1H3/t22-/m1/s1.
What are the key properties of 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 332.49 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 58438485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).