6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane

C17H23ClN2 — CID 79430003

IUPAC6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane
SMILESClc1cccc(C2CNCCC23CCN(C2CC2)C3)c1
InChIInChI=1S/C17H23ClN2/c18-14-3-1-2-13(10-14)16-11-19-8-6-17(16)7-9-20(12-17)15-4-5-15/h1-3,10,15-16,19H,4-9,11-12H2
InChIKeySOOXZCJZOBZBAC-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.27
Rot. Bonds2

About 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane

6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane (PubChem CID 79430003) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane
PubChem CID79430003
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane
SMILESClc1cccc(C2CNCCC23CCN(C2CC2)C3)c1
InChIInChI=1S/C17H23ClN2/c18-14-3-1-2-13(10-14)16-11-19-8-6-17(16)7-9-20(12-17)15-4-5-15/h1-3,10,15-16,19H,4-9,11-12H2
InChIKeySOOXZCJZOBZBAC-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane (CID 79430003) is 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane is Clc1cccc(C2CNCCC23CCN(C2CC2)C3)c1.
What is the InChIKey of 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane?
The InChIKey is SOOXZCJZOBZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-14-3-1-2-13(10-14)16-11-19-8-6-17(16)7-9-20(12-17)15-4-5-15/h1-3,10,15-16,19H,4-9,11-12H2.
What are the key properties of 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane?
6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane has a molecular weight of 290.84 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 79430003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).