5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol

C17H20N2O — CID 43743060

IUPAC5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
SMILESOc1cccc2c(NC3CN4CCC3CC4)cccc12
InChIInChI=1S/C17H20N2O/c20-17-6-2-3-13-14(17)4-1-5-15(13)18-16-11-19-9-7-12(16)8-10-19/h1-6,12,16,18,20H,7-11H2
InChIKeyFDIQOSLDGJYBEU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.05
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol

5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol (PubChem CID 43743060) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
PubChem CID43743060
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol
SMILESOc1cccc2c(NC3CN4CCC3CC4)cccc12
InChIInChI=1S/C17H20N2O/c20-17-6-2-3-13-14(17)4-1-5-15(13)18-16-11-19-9-7-12(16)8-10-19/h1-6,12,16,18,20H,7-11H2
InChIKeyFDIQOSLDGJYBEU-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-6-fluorobenzoic acid
CID 79523086
N-(2-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43684279
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-methylbenzamide
CID 43694209
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)benzoate
CID 43321974
N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43687475
(3R)-N-(4-iodophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28975416
N-(2,4,5-trifluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55210890
3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708005
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-benzoxazol-3-amine
CID 134495722

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol (CID 43743060) is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol is Oc1cccc2c(NC3CN4CCC3CC4)cccc12.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol?
The InChIKey is FDIQOSLDGJYBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-6-2-3-13-14(17)4-1-5-15(13)18-16-11-19-9-7-12(16)8-10-19/h1-6,12,16,18,20H,7-11H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol?
5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)naphthalen-1-ol is sourced from PubChem (CID 43743060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).