5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane

C19H28BrN — CID 79438736

IUPAC5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane
SMILESCC1CC(C)(C)CC2(CCNCC2c2ccccc2Br)C1
InChIInChI=1S/C19H28BrN/c1-14-10-18(2,3)13-19(11-14)8-9-21-12-16(19)15-6-4-5-7-17(15)20/h4-7,14,16,21H,8-13H2,1-3H3
InChIKeyOYBSHYGDADGQIW-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.36
Rot. Bonds1

About 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane

5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane (PubChem CID 79438736) has the molecular formula C19H28BrN and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane
PubChem CID79438736
Molecular FormulaC19H28BrN
Molecular Weight350.34 g/mol
Exact Mass349.14
IUPAC Name5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane
SMILESCC1CC(C)(C)CC2(CCNCC2c2ccccc2Br)C1
InChIInChI=1S/C19H28BrN/c1-14-10-18(2,3)13-19(11-14)8-9-21-12-16(19)15-6-4-5-7-17(15)20/h4-7,14,16,21H,8-13H2,1-3H3
InChIKeyOYBSHYGDADGQIW-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824891
5-benzyl-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79310597
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 79450871
5-(2-bromophenyl)-9-ethyl-3-azaspiro[5.6]dodecane
CID 79439161
(4R)-4-(2-bromophenyl)-2-azaspiro[4.4]nonane
CID 124670148
(2R)-1-[11-(2-bromophenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
CID 150604395
5-(2-fluorophenyl)-9-methyl-3-azaspiro[5.6]dodecane
CID 79454886
3-(2-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79455371
5-(2-fluorophenyl)-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 103565654
5-(2-bromophenyl)-11-methoxy-3-azaspiro[5.5]undecane
CID 106874927
6-(2-fluorophenyl)-2,3-dimethyl-2,8-diazaspiro[4.5]decane
CID 81468166
8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 63156381

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane (CID 79438736) is 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane is CC1CC(C)(C)CC2(CCNCC2c2ccccc2Br)C1.
What is the InChIKey of 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane?
The InChIKey is OYBSHYGDADGQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN/c1-14-10-18(2,3)13-19(11-14)8-9-21-12-16(19)15-6-4-5-7-17(15)20/h4-7,14,16,21H,8-13H2,1-3H3.
What are the key properties of 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane?
5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane has a molecular weight of 350.34 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-8,10,10-trimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79438736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).