9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one

C16H27NO — CID 64743890

IUPAC9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CCC(N2C3CCCC2CC(=O)C3)CC1C
InChIInChI=1S/C16H27NO/c1-11-6-7-15(8-12(11)2)17-13-4-3-5-14(17)10-16(18)9-13/h11-15H,3-10H2,1-2H3
InChIKeyLMWKJXHEYDAFEW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds1

About 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 64743890) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID64743890
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CCC(N2C3CCCC2CC(=O)C3)CC1C
InChIInChI=1S/C16H27NO/c1-11-6-7-15(8-12(11)2)17-13-4-3-5-14(17)10-16(18)9-13/h11-15H,3-10H2,1-2H3
InChIKeyLMWKJXHEYDAFEW-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 62713753
9-(2,3-dimethylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 64921492
(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
CID 144657404
8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739795
1-(3,4-dimethylcyclohexyl)piperidin-4-one
CID 64738365
8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740847
9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 80715836
(1R,4R,8R,11S)-11-methyl-9-methylidene-12-azatricyclo[6.3.1.04,12]dodecan-6-one
CID 11665614
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821
8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739939
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 64743890) is 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one is CC1CCC(N2C3CCCC2CC(=O)C3)CC1C.
What is the InChIKey of 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is LMWKJXHEYDAFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-6-7-15(8-12(11)2)17-13-4-3-5-14(17)10-16(18)9-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 249.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 64743890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).