2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one

C20H35NO — CID 90743436

IUPAC2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
SMILESCC(C(=O)C1C(C)(C)C1(C)C)C1(C)CC2CCC(C1)N(C)C2
InChIInChI=1S/C20H35NO/c1-13(16(22)17-18(2,3)19(17,4)5)20(6)10-14-8-9-15(11-20)21(7)12-14/h13-15,17H,8-12H2,1-7H3
InChIKeyQCBNPUKHBUZWFH-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.38
Rot. Bonds3

About 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one

2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one (PubChem CID 90743436) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
PubChem CID90743436
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
SMILESCC(C(=O)C1C(C)(C)C1(C)C)C1(C)CC2CCC(C1)N(C)C2
InChIInChI=1S/C20H35NO/c1-13(16(22)17-18(2,3)19(17,4)5)20(6)10-14-8-9-15(11-20)21(7)12-14/h13-15,17H,8-12H2,1-7H3
InChIKeyQCBNPUKHBUZWFH-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one with MolForge

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Related Compounds

Tropane, 2-acetyl-2,3-methylene-
CID 585836
1-Cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one
CID 19099558
1-Cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one
CID 19099560
1-Cyclopentyl-5-(1,2,3,4-tetramethylpiperidin-3-yl)pentan-3-one;hydrochloride
CID 19099567
3-(3-Methyl-6-azabicyclo[3.2.2]nonan-3-yl)butan-2-one
CID 91556622
4,5,5-trimethyl-1-[(3S)-3-propyl-6-azabicyclo[3.2.2]nonan-6-yl]hexan-3-one
CID 137483286
Ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone
CID 143432775
1-[(2S)-4,4,5,5,7,7-hexamethyl-1-propan-2-yl-3,4a,6,8,9,9a-hexahydro-2H-cyclohepta[b]pyridin-2-yl]-2-methylpropan-1-one
CID 169991180
2,9-Di(propan-2-yl)-9-azadispiro[2.2.56.23]tridecan-4-one
CID 170418573
1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone
CID 22216681
3,3-Dimethyl-1-(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl)butan-2-one
CID 158103961
4,4-Dimethyl-1-(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl)pentane-2,3-dione
CID 158103962

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
The IUPAC name of 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one (CID 90743436) is 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one.
What is the SMILES notation for 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
The canonical SMILES for 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one is CC(C(=O)C1C(C)(C)C1(C)C)C1(C)CC2CCC(C1)N(C)C2.
What is the InChIKey of 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
The InChIKey is QCBNPUKHBUZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-13(16(22)17-18(2,3)19(17,4)5)20(6)10-14-8-9-15(11-20)21(7)12-14/h13-15,17H,8-12H2,1-7H3.
What are the key properties of 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one has a molecular weight of 305.51 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one is sourced from PubChem (CID 90743436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).