(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone

C19H21NO — CID 115997804

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
SMILESCN1C2CCC1CC(C(=O)c1cccc3ccccc13)C2
InChIInChI=1S/C19H21NO/c1-20-15-9-10-16(20)12-14(11-15)19(21)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3
InChIKeyMOOPSNJJRWBIHP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.90
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone (PubChem CID 115997804) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
PubChem CID115997804
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
SMILESCN1C2CCC1CC(C(=O)c1cccc3ccccc13)C2
InChIInChI=1S/C19H21NO/c1-20-15-9-10-16(20)12-14(11-15)19(21)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3
InChIKeyMOOPSNJJRWBIHP-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
CID 171943246
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
naphthalen-1-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 144874180
(2-ethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944562
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945
[2-fluoro-3-(trifluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171949560
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685
(2,3-difluoro-4-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107512751

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone (CID 115997804) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone is CN1C2CCC1CC(C(=O)c1cccc3ccccc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is MOOPSNJJRWBIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-15-9-10-16(20)12-14(11-15)19(21)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 279.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 115997804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).