(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone

C19H27NO — CID 171947804

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C19H27NO/c1-13(2)17-9-4-5-10-18(17)19(21)14-11-15-7-6-8-16(12-14)20(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3
InChIKeyUGZWQWALSXEVBI-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.26
Rot. Bonds3

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone (PubChem CID 171947804) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
PubChem CID171947804
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C19H27NO/c1-13(2)17-9-4-5-10-18(17)19(21)14-11-15-7-6-8-16(12-14)20(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3
InChIKeyUGZWQWALSXEVBI-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944562
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947798
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947801
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
CID 171943246
4-(2-propan-2-ylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722485
benzyl 3-[2-(difluoromethyl)benzoyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171947733
(2-fluoro-3-methylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171944994
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073

Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone (CID 171947804) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)C1CC2CCCC(C1)N2C.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone?
The InChIKey is UGZWQWALSXEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13(2)17-9-4-5-10-18(17)19(21)14-11-15-7-6-8-16(12-14)20(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone has a molecular weight of 285.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 171947804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).