9-benzyl-9-azadispiro[2.2.26.23]decane

C16H21N — CID 163932559

IUPAC9-benzyl-9-azadispiro[2.2.26.23]decane
SMILESc1ccc(CN2CC3(CC3)CCC23CC3)cc1
InChIInChI=1S/C16H21N/c1-2-4-14(5-3-1)12-17-13-15(6-7-15)8-9-16(17)10-11-16/h1-5H,6-13H2
InChIKeyRJXPEZLUVKSMJY-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.60
Rot. Bonds2

About 9-benzyl-9-azadispiro[2.2.26.23]decane

9-benzyl-9-azadispiro[2.2.26.23]decane (PubChem CID 163932559) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-benzyl-9-azadispiro[2.2.26.23]decane.

Molecular Properties

Compound Name9-benzyl-9-azadispiro[2.2.26.23]decane
PubChem CID163932559
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9-benzyl-9-azadispiro[2.2.26.23]decane
SMILESc1ccc(CN2CC3(CC3)CCC23CC3)cc1
InChIInChI=1S/C16H21N/c1-2-4-14(5-3-1)12-17-13-15(6-7-15)8-9-16(17)10-11-16/h1-5H,6-13H2
InChIKeyRJXPEZLUVKSMJY-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-benzyl-1,7-diazaspiro[3.4]octane
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methyl 1-benzyl-2-methylaziridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-9-azadispiro[2.2.26.23]decane?
The IUPAC name of 9-benzyl-9-azadispiro[2.2.26.23]decane (CID 163932559) is 9-benzyl-9-azadispiro[2.2.26.23]decane.
What is the SMILES notation for 9-benzyl-9-azadispiro[2.2.26.23]decane?
The canonical SMILES for 9-benzyl-9-azadispiro[2.2.26.23]decane is c1ccc(CN2CC3(CC3)CCC23CC3)cc1.
What is the InChIKey of 9-benzyl-9-azadispiro[2.2.26.23]decane?
The InChIKey is RJXPEZLUVKSMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-4-14(5-3-1)12-17-13-15(6-7-15)8-9-16(17)10-11-16/h1-5H,6-13H2.
What are the key properties of 9-benzyl-9-azadispiro[2.2.26.23]decane?
9-benzyl-9-azadispiro[2.2.26.23]decane has a molecular weight of 227.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-9-azadispiro[2.2.26.23]decane is sourced from PubChem (CID 163932559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).