1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one

C15H27NO — CID 171937998

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H27NO/c1-3-11(4-2)8-15(17)12-9-13-6-5-7-14(10-12)16-13/h11-14,16H,3-10H2,1-2H3
InChIKeyXCJLVDOHWRNLQX-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.30
Rot. Bonds5

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one (PubChem CID 171937998) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one
PubChem CID171937998
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H27NO/c1-3-11(4-2)8-15(17)12-9-13-6-5-7-14(10-12)16-13/h11-14,16H,3-10H2,1-2H3
InChIKeyXCJLVDOHWRNLQX-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one (CID 171937998) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one is CCC(CC)CC(=O)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one?
The InChIKey is XCJLVDOHWRNLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-11(4-2)8-15(17)12-9-13-6-5-7-14(10-12)16-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-ethylpentan-1-one is sourced from PubChem (CID 171937998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).