8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]

C16H21NO2 — CID 85186782

IUPAC8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
SMILESc1ccc(CN2C3CCC2CC2(C3)OCCO2)cc1
InChIInChI=1S/C16H21NO2/c1-2-4-13(5-3-1)12-17-14-6-7-15(17)11-16(10-14)18-8-9-19-16/h1-5,14-15H,6-12H2
InChIKeyATOVVKOPEWVSOJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds2

About 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]

8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 85186782) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Name8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
PubChem CID85186782
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
SMILESc1ccc(CN2C3CCC2CC2(C3)OCCO2)cc1
InChIInChI=1S/C16H21NO2/c1-2-4-13(5-3-1)12-17-14-6-7-15(17)11-16(10-14)18-8-9-19-16/h1-5,14-15H,6-12H2
InChIKeyATOVVKOPEWVSOJ-UHFFFAOYSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] with MolForge

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Related Compounds

(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1'R,5'S)-3'-benzylspiro[1,3-dioxolane-2,7'-3-azabicyclo[3.3.1]nonane]
CID 71514471
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 98052462
3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 66774815
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
N-(8-benzyl-3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59134547
2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
8'-benzylspiro[2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]-1-one
CID 58946072
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172

Frequently Asked Questions

What is the IUPAC name of 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] (CID 85186782) is 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] is c1ccc(CN2C3CCC2CC2(C3)OCCO2)cc1.
What is the InChIKey of 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is ATOVVKOPEWVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-13(5-3-1)12-17-14-6-7-15(17)11-16(10-14)18-8-9-19-16/h1-5,14-15H,6-12H2.
What are the key properties of 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 259.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 85186782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).