9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane

C18H27BrN2 — CID 65499291

IUPAC9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1c(C)cc(Br)cc1C
InChIInChI=1S/C18H27BrN2/c1-4-16-11-20-18(7-5-6-8-18)12-21(16)17-13(2)9-15(19)10-14(17)3/h9-10,16,20H,4-8,11-12H2,1-3H3
InChIKeySBUUGLLSKZBMTR-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.57
Rot. Bonds2

About 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane

9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 65499291) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID65499291
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1c1c(C)cc(Br)cc1C
InChIInChI=1S/C18H27BrN2/c1-4-16-11-20-18(7-5-6-8-18)12-21(16)17-13(2)9-15(19)10-14(17)3/h9-10,16,20H,4-8,11-12H2,1-3H3
InChIKeySBUUGLLSKZBMTR-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-9-(4-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 64933025
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
8-ethyl-9-(3-fluoro-5-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 79046966
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
4-(2,3-dimethylphenyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64931476
8-ethyl-9-(4-propylphenyl)-6,9-diazaspiro[4.5]decane
CID 64935977
9-(4-chloro-2-fluorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64947782
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062
9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 104812527
3-ethyl-4-(4-fluoro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane
CID 79762113

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane (CID 65499291) is 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1c1c(C)cc(Br)cc1C.
What is the InChIKey of 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is SBUUGLLSKZBMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-4-16-11-20-18(7-5-6-8-18)12-21(16)17-13(2)9-15(19)10-14(17)3/h9-10,16,20H,4-8,11-12H2,1-3H3.
What are the key properties of 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane?
9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 351.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-2,6-dimethylphenyl)-8-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65499291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).