1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one

C18H33NO — CID 171941682

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-18(20)15-13-16-11-12-17(14-15)19-16/h15-17,19H,2-14H2,1H3
InChIKeyVEUCBDBFAGBZJQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.62
Rot. Bonds10

About 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one

1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one (PubChem CID 171941682) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
PubChem CID171941682
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-18(20)15-13-16-11-12-17(14-15)19-16/h15-17,19H,2-14H2,1H3
InChIKeyVEUCBDBFAGBZJQ-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
CID 116588294
1-(8-azabicyclo[3.2.1]octan-3-yl)decan-2-one
CID 116588219
1-(8-azabicyclo[3.2.1]octan-3-yl)octan-2-one
CID 116588352
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-one
CID 114969082
5-(8-azabicyclo[3.2.1]octan-3-yl)-5-oxopentanenitrile
CID 171938423
1-cyclobutyldodecan-1-one
CID 115811550
1-cyclohexyldecan-1-one
CID 63409715
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)hexadecan-1-one
CID 171939342
1-(3-ethylcyclopentyl)tridecan-1-one
CID 65406595
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)octan-1-one
CID 171950099
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5,5,5-trifluoropentan-1-one
CID 171950141
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one (CID 171941682) is 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one is CCCCCCCCCCC(=O)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one?
The InChIKey is VEUCBDBFAGBZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-18(20)15-13-16-11-12-17(14-15)19-16/h15-17,19H,2-14H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one?
1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one is sourced from PubChem (CID 171941682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).