(1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one

C12H21NO — CID 10512061

IUPAC(1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCCCC1C[C@@H]2C(=O)CC[C@H]1N2C
InChIInChI=1S/C12H21NO/c1-3-4-5-9-8-11-12(14)7-6-10(9)13(11)2/h9-11H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyIDTWYOSGVLXPEJ-FHZGLPGMSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds3

About (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one

(1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 10512061) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID10512061
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCCCC1C[C@@H]2C(=O)CC[C@H]1N2C
InChIInChI=1S/C12H21NO/c1-3-4-5-9-8-11-12(14)7-6-10(9)13(11)2/h9-11H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyIDTWYOSGVLXPEJ-FHZGLPGMSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one with MolForge

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Related Compounds

1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
8-Methyl-8-azabicyclo[3.2.1]octan-2-one
CID 338156
(+-)-Tropan-2-one
CID 10887990
(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 67209139
(1R,5S)-8-methyl-1-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-2-one
CID 141999062
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
1-Azatricyclo[4.4.0.02,8]decan-3-one
CID 90792635
2beta-Propanoyl tropane
CID 129712120
4,4,4-Trifluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 112680637
5,5,5-Trifluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 112680732

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one (CID 10512061) is (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one is CCCCC1C[C@@H]2C(=O)CC[C@H]1N2C.
What is the InChIKey of (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is IDTWYOSGVLXPEJ-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-9-8-11-12(14)7-6-10(9)13(11)2/h9-11H,3-8H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one?
(1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-butyl-8-methyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 10512061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).