3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

C18H25NO2 — CID 3069303

IUPAC3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
SMILESc1ccc(CN2CC3COC(C4CCCCC4)(C2)O3)cc1
InChIInChI=1S/C18H25NO2/c1-3-7-15(8-4-1)11-19-12-17-13-20-18(14-19,21-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKeyGIEFLTRDOWGPCY-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.19
Rot. Bonds3

About 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane (PubChem CID 3069303) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
PubChem CID3069303
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
SMILESc1ccc(CN2CC3COC(C4CCCCC4)(C2)O3)cc1
InChIInChI=1S/C18H25NO2/c1-3-7-15(8-4-1)11-19-12-17-13-20-18(14-19,21-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKeyGIEFLTRDOWGPCY-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
4-Benzyl-1-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperidine
CID 127027494
1-Benzyl-4-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 127027495
4-Benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
CID 127028726
1-Benzyl-1-{[2-(2,4,4-trimethylpentyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 5101318
6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-cyclohexyl-3-(phenylmethyl)-, (Z)-2-butenedioate (1:1)
CID 6448238
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-YL]methyl}piperidin-1-ium
CID 4583714
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
1-{[2-(1-Phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidine
CID 3621729
[(1S,5S,7S)-3-benzyl-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanol
CID 68890378
1-Benzyl-4-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine
CID 67878002

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane (CID 3069303) is 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane is c1ccc(CN2CC3COC(C4CCCCC4)(C2)O3)cc1.
What is the InChIKey of 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
The InChIKey is GIEFLTRDOWGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-7-15(8-4-1)11-19-12-17-13-20-18(14-19,21-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2.
What are the key properties of 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane?
3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane has a molecular weight of 287.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-cyclohexyl-6,8-dioxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 3069303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).