5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane

C18H26BrN — CID 79450871

IUPAC5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
SMILESCCC1CCC2(CCNCC2c2ccccc2Br)CC1
InChIInChI=1S/C18H26BrN/c1-2-14-7-9-18(10-8-14)11-12-20-13-16(18)15-5-3-4-6-17(15)19/h3-6,14,16,20H,2,7-13H2,1H3
InChIKeyYHJWVYNQLHVVQF-UHFFFAOYSA-N
MW336.32 g/mol
LogP5.11
Rot. Bonds2

About 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane

5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane (PubChem CID 79450871) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
PubChem CID79450871
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC Name5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
SMILESCCC1CCC2(CCNCC2c2ccccc2Br)CC1
InChIInChI=1S/C18H26BrN/c1-2-14-7-9-18(10-8-14)11-12-20-13-16(18)15-5-3-4-6-17(15)19/h3-6,14,16,20H,2,7-13H2,1H3
InChIKeyYHJWVYNQLHVVQF-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824891
5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79438736
5-(3-chlorophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79430330
5-(4-methylphenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79432333
3-ethyl-10-(4-fluorophenyl)-8-azaspiro[4.5]decane
CID 79437998
3-(2-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79455371
5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
CID 79433150
(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
CID 124670148
5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
CID 79454886
5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
CID 106874927
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane (CID 79450871) is 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane is CCC1CCC2(CCNCC2c2ccccc2Br)CC1.
What is the InChIKey of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane?
The InChIKey is YHJWVYNQLHVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN/c1-2-14-7-9-18(10-8-14)11-12-20-13-16(18)15-5-3-4-6-17(15)19/h3-6,14,16,20H,2,7-13H2,1H3.
What are the key properties of 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane?
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane has a molecular weight of 336.32 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79450871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).