5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane

C20H31N — CID 81304027

IUPAC5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane
SMILESCC1CC(C)(C)CCC12CCNCC2Cc1ccccc1
InChIInChI=1S/C20H31N/c1-16-14-19(2,3)9-10-20(16)11-12-21-15-18(20)13-17-7-5-4-6-8-17/h4-8,16,18,21H,9-15H2,1-3H3
InChIKeyATJUNUYBIWJZPO-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.67
Rot. Bonds2

About 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane

5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane (PubChem CID 81304027) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane
PubChem CID81304027
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane
SMILESCC1CC(C)(C)CCC12CCNCC2Cc1ccccc1
InChIInChI=1S/C20H31N/c1-16-14-19(2,3)9-10-20(16)11-12-21-15-18(20)13-17-7-5-4-6-8-17/h4-8,16,18,21H,9-15H2,1-3H3
InChIKeyATJUNUYBIWJZPO-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane (CID 81304027) is 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane is CC1CC(C)(C)CCC12CCNCC2Cc1ccccc1.
What is the InChIKey of 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane?
The InChIKey is ATJUNUYBIWJZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16-14-19(2,3)9-10-20(16)11-12-21-15-18(20)13-17-7-5-4-6-8-17/h4-8,16,18,21H,9-15H2,1-3H3.
What are the key properties of 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane?
5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane has a molecular weight of 285.47 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-9,9,11-trimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 81304027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).