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

C17H29NO — CID 62714481

IUPAC9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCC(C1CCCCC1)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C17H29NO/c1-2-17(13-7-4-3-5-8-13)18-14-9-6-10-15(18)12-16(19)11-14/h13-15,17H,2-12H2,1H3
InChIKeyVFWODNCPTMLZGC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.93
Rot. Bonds3

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

9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62714481) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62714481
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCCC(C1CCCCC1)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C17H29NO/c1-2-17(13-7-4-3-5-8-13)18-14-9-6-10-15(18)12-16(19)11-14/h13-15,17H,2-12H2,1H3
InChIKeyVFWODNCPTMLZGC-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62714481) is 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one is CCC(C1CCCCC1)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is VFWODNCPTMLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-17(13-7-4-3-5-8-13)18-14-9-6-10-15(18)12-16(19)11-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 263.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62714481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).