9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

C17H25BrN2 — CID 64877165

IUPAC9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1ccccc1Br
InChIInChI=1S/C17H25BrN2/c1-2-15-11-19-17(9-5-6-10-17)13-20(15)12-14-7-3-4-8-16(14)18/h3-4,7-8,15,19H,2,5-6,9-13H2,1H3
InChIKeyZEBUPSNFECQYRA-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.95
Rot. Bonds3

About 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane

9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877165) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID64877165
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1ccccc1Br
InChIInChI=1S/C17H25BrN2/c1-2-15-11-19-17(9-5-6-10-17)13-20(15)12-14-7-3-4-8-16(14)18/h3-4,7-8,15,19H,2,5-6,9-13H2,1H3
InChIKeyZEBUPSNFECQYRA-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (CID 64877165) is 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1Cc1ccccc1Br.
What is the InChIKey of 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is ZEBUPSNFECQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-15-11-19-17(9-5-6-10-17)13-20(15)12-14-7-3-4-8-16(14)18/h3-4,7-8,15,19H,2,5-6,9-13H2,1H3.
What are the key properties of 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 337.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).