5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane

C19H28ClN — CID 79433150

IUPAC5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CCNCC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN/c1-2-3-15-8-10-19(11-9-15)12-13-21-14-18(19)16-4-6-17(20)7-5-16/h4-7,15,18,21H,2-3,8-14H2,1H3
InChIKeyLYEBZUIDAJOOCN-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.39
Rot. Bonds3

About 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane

5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane (PubChem CID 79433150) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
PubChem CID79433150
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC Name5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane
SMILESCCCC1CCC2(CCNCC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H28ClN/c1-2-3-15-8-10-19(11-9-15)12-13-21-14-18(19)16-4-6-17(20)7-5-16/h4-7,15,18,21H,2-3,8-14H2,1H3
InChIKeyLYEBZUIDAJOOCN-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane (CID 79433150) is 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane is CCCC1CCC2(CCNCC2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane?
The InChIKey is LYEBZUIDAJOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-2-3-15-8-10-19(11-9-15)12-13-21-14-18(19)16-4-6-17(20)7-5-16/h4-7,15,18,21H,2-3,8-14H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane?
5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane has a molecular weight of 305.89 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-9-propyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79433150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).