2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane

C20H31N — CID 155771376

IUPAC2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane
SMILESCCc1cccc(CC)c1N1CC2(CCCC2)CC1(C)C
InChIInChI=1S/C20H31N/c1-5-16-10-9-11-17(6-2)18(16)21-15-20(12-7-8-13-20)14-19(21,3)4/h9-11H,5-8,12-15H2,1-4H3
InChIKeyOJODLGDBZVNGDK-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.36
Rot. Bonds3

About 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane

2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane (PubChem CID 155771376) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane
PubChem CID155771376
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane
SMILESCCc1cccc(CC)c1N1CC2(CCCC2)CC1(C)C
InChIInChI=1S/C20H31N/c1-5-16-10-9-11-17(6-2)18(16)21-15-20(12-7-8-13-20)14-19(21,3)4/h9-11H,5-8,12-15H2,1-4H3
InChIKeyOJODLGDBZVNGDK-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-(2,6-diethylphenyl)-4-(3,5-dimethylphenyl)-2,2,4-trimethylpyrrolidine
CID 167496244
(2R,4R)-1-(2,6-diethylphenyl)-2,4-diethyl-2,4-dimethylpyrrolidine
CID 175698363
2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane
CID 170182345
1-(2-ethyl-6-methylphenyl)-6,6-dimethylpiperidin-3-one
CID 117020929
1-(2,6-diethylphenyl)piperidine
CID 10608826
1-ethyl-2-(1-methylcyclohexyl)benzene
CID 71388043
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentan-1-amine
CID 3378751
1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile
CID 117007926
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
CID 155771375
CID 155771375
1-(2-ethyl-6-methylphenyl)-3,3-dimethyl-1,4-diazocane
CID 117016490

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane?
The IUPAC name of 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane (CID 155771376) is 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane is CCc1cccc(CC)c1N1CC2(CCCC2)CC1(C)C.
What is the InChIKey of 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane?
The InChIKey is OJODLGDBZVNGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-5-16-10-9-11-17(6-2)18(16)21-15-20(12-7-8-13-20)14-19(21,3)4/h9-11H,5-8,12-15H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane?
2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane has a molecular weight of 285.48 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 155771376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).