5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane

C19H29N — CID 79320491

IUPAC5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCCC2(CCNCC2Cc2ccccc2)C1C
InChIInChI=1S/C19H29N/c1-15-7-6-10-19(16(15)2)11-12-20-14-18(19)13-17-8-4-3-5-9-17/h3-5,8-9,15-16,18,20H,6-7,10-14H2,1-2H3
InChIKeyAXKZRHBOIXFBFK-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.28
Rot. Bonds2

About 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane

5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane (PubChem CID 79320491) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
PubChem CID79320491
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCCC2(CCNCC2Cc2ccccc2)C1C
InChIInChI=1S/C19H29N/c1-15-7-6-10-19(16(15)2)11-12-20-14-18(19)13-17-8-4-3-5-9-17/h3-5,8-9,15-16,18,20H,6-7,10-14H2,1-2H3
InChIKeyAXKZRHBOIXFBFK-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane (CID 79320491) is 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane is CC1CCCC2(CCNCC2Cc2ccccc2)C1C.
What is the InChIKey of 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane?
The InChIKey is AXKZRHBOIXFBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-15-7-6-10-19(16(15)2)11-12-20-14-18(19)13-17-8-4-3-5-9-17/h3-5,8-9,15-16,18,20H,6-7,10-14H2,1-2H3.
What are the key properties of 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane?
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane has a molecular weight of 271.45 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79320491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).