9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane

C14H19BrN2 — CID 64925677

IUPAC9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
SMILESBrc1ccccc1N1CCNC2(CCCC2)C1
InChIInChI=1S/C14H19BrN2/c15-12-5-1-2-6-13(12)17-10-9-16-14(11-17)7-3-4-8-14/h1-2,5-6,16H,3-4,7-11H2
InChIKeyXEGRJIOPLNOTCK-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.17
Rot. Bonds1

About 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane

9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64925677) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
PubChem CID64925677
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
SMILESBrc1ccccc1N1CCNC2(CCCC2)C1
InChIInChI=1S/C14H19BrN2/c15-12-5-1-2-6-13(12)17-10-9-16-14(11-17)7-3-4-8-14/h1-2,5-6,16H,3-4,7-11H2
InChIKeyXEGRJIOPLNOTCK-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane (CID 64925677) is 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane is Brc1ccccc1N1CCNC2(CCCC2)C1.
What is the InChIKey of 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is XEGRJIOPLNOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-12-5-1-2-6-13(12)17-10-9-16-14(11-17)7-3-4-8-14/h1-2,5-6,16H,3-4,7-11H2.
What are the key properties of 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane?
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 295.22 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64925677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).