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

C16H27NO — CID 62738750

IUPAC8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCCC(C1CCCCC1)N1C2CCC1CC(=O)C2
InChIInChI=1S/C16H27NO/c1-2-16(12-6-4-3-5-7-12)17-13-8-9-14(17)11-15(18)10-13/h12-14,16H,2-11H2,1H3
InChIKeyANVQWCCSDKKGPC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.54
Rot. Bonds3

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

8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62738750) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62738750
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCCC(C1CCCCC1)N1C2CCC1CC(=O)C2
InChIInChI=1S/C16H27NO/c1-2-16(12-6-4-3-5-7-12)17-13-8-9-14(17)11-15(18)10-13/h12-14,16H,2-11H2,1H3
InChIKeyANVQWCCSDKKGPC-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62738750) is 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one is CCC(C1CCCCC1)N1C2CCC1CC(=O)C2.
What is the InChIKey of 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is ANVQWCCSDKKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-16(12-6-4-3-5-7-12)17-13-8-9-14(17)11-15(18)10-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 249.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62738750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).