3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane

C15H21BrN2 — CID 117028760

IUPAC3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane
SMILESBrc1ccccc1N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H21BrN2/c16-13-3-1-2-4-14(13)18-11-7-15(8-12-18)5-9-17-10-6-15/h1-4,17H,5-12H2
InChIKeyNUOXDZBZHYLSQJ-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.42
Rot. Bonds1

About 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane

3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 117028760) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID117028760
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane
SMILESBrc1ccccc1N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H21BrN2/c16-13-3-1-2-4-14(13)18-11-7-15(8-12-18)5-9-17-10-6-15/h1-4,17H,5-12H2
InChIKeyNUOXDZBZHYLSQJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane (CID 117028760) is 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane is Brc1ccccc1N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is NUOXDZBZHYLSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-13-3-1-2-4-14(13)18-11-7-15(8-12-18)5-9-17-10-6-15/h1-4,17H,5-12H2.
What are the key properties of 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane?
3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 309.25 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 117028760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).