5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane

C18H26ClN — CID 79434074

IUPAC5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCC(C)C2(CCNCC2c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN/c1-13-3-4-14(2)18(11-13)9-10-20-12-17(18)15-5-7-16(19)8-6-15/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3
InChIKeyIMCLTEPLKZAMDX-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.86
Rot. Bonds1

About 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane

5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane (PubChem CID 79434074) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
PubChem CID79434074
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCC(C)C2(CCNCC2c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H26ClN/c1-13-3-4-14(2)18(11-13)9-10-20-12-17(18)15-5-7-16(19)8-6-15/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3
InChIKeyIMCLTEPLKZAMDX-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane (CID 79434074) is 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane is CC1CCC(C)C2(CCNCC2c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane?
The InChIKey is IMCLTEPLKZAMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-13-3-4-14(2)18(11-13)9-10-20-12-17(18)15-5-7-16(19)8-6-15/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane?
5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane has a molecular weight of 291.87 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-8,11-dimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79434074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).