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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Related Compounds

5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
5-benzyl-8,10,10-trimethyl-3-azaspiro[5.5]undecane
CID 79310597
3-benzyl-4,4-difluoropiperidine
CID 84678460
3'-benzylspiro[1-azabicyclo[3.2.1]octane-4,4'-piperidine]
CID 105366313
6-ethyl-2,2,4-trimethyl-8-azaspiro[4.5]decane
CID 106664485
3-benzyl-4-ethyl-4-(methoxymethyl)piperidine
CID 79321073
6,8,8-trimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 81315265
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
4-benzyl-3,4-diethylpiperidine
CID 79312303
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine
CID 177005554
(1-anilino-2,4,4-trimethylcyclohexyl)methanol
CID 81313938

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).