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

C16H23BrN2 — CID 64934134

IUPAC9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccccc1Br
InChIInChI=1S/C16H23BrN2/c1-2-13-11-18-16(9-5-6-10-16)12-19(13)15-8-4-3-7-14(15)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyYLFJAJXYCJQFNX-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.95
Rot. Bonds2

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

9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64934134) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID64934134
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1ccccc1Br
InChIInChI=1S/C16H23BrN2/c1-2-13-11-18-16(9-5-6-10-16)12-19(13)15-8-4-3-7-14(15)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyYLFJAJXYCJQFNX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877165
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 65499291
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (CID 64934134) is 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1ccccc1Br.
What is the InChIKey of 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is YLFJAJXYCJQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-2-13-11-18-16(9-5-6-10-16)12-19(13)15-8-4-3-7-14(15)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3.
What are the key properties of 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 323.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64934134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).