3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C16H27NO — CID 114191946

IUPAC3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C16H27NO/c1-17-14-7-8-15(17)11-13(10-14)16(18)9-6-12-4-2-3-5-12/h12-15H,2-11H2,1H3
InChIKeyZOPQBJHGFMJUSU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds4

About 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 114191946) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID114191946
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C16H27NO/c1-17-14-7-8-15(17)11-13(10-14)16(18)9-6-12-4-2-3-5-12/h12-15H,2-11H2,1H3
InChIKeyZOPQBJHGFMJUSU-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171950750
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 112680633
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
tert-butyl 3-(3-cyclohexylpropanoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944787
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methylsulfonylbutan-1-one
CID 112680687
5-methoxy-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171937828
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxopropanenitrile
CID 171938824
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
CID 171950108
4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171937984
N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54932012

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 114191946) is 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CN1C2CCC1CC(C(=O)CCC1CCCC1)C2.
What is the InChIKey of 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is ZOPQBJHGFMJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-17-14-7-8-15(17)11-13(10-14)16(18)9-6-12-4-2-3-5-12/h12-15H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 114191946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).