1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone

C22H33N3O — CID 630943

IUPAC1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone
SMILESCc1nn(CC(=O)N2CC3(C)CC2CC(C)(C)C3)c2c1C1C(C2)C1(C)C
InChIInChI=1S/C22H33N3O/c1-13-18-16(7-15-19(18)21(15,4)5)25(23-13)10-17(26)24-12-22(6)9-14(24)8-20(2,3)11-22/h14-15,19H,7-12H2,1-6H3
InChIKeyNQHRPUQJUPOLDQ-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.91
Rot. Bonds2

About 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone

1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone (PubChem CID 630943) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone
PubChem CID630943
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone
SMILESCc1nn(CC(=O)N2CC3(C)CC2CC(C)(C)C3)c2c1C1C(C2)C1(C)C
InChIInChI=1S/C22H33N3O/c1-13-18-16(7-15-19(18)21(15,4)5)25(23-13)10-17(26)24-12-22(6)9-14(24)8-20(2,3)11-22/h14-15,19H,7-12H2,1-6H3
InChIKeyNQHRPUQJUPOLDQ-UHFFFAOYSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone with MolForge

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Related Compounds

1-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]ethanone
CID 98134912
1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-2-[(2S,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]ethanone
CID 125319962
2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 748615
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 8851106
[(2R,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanol
CID 11862073
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 11906024
1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
CID 98511634
[(1S)-2,2-dichloro-1-methylcyclopropyl]-[(2S,4S)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanone
CID 125370734
1-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone
CID 3743338
1-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]ethanone
CID 928587
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 11918780

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone?
The IUPAC name of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone (CID 630943) is 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone.
What is the SMILES notation for 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone?
The canonical SMILES for 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone is Cc1nn(CC(=O)N2CC3(C)CC2CC(C)(C)C3)c2c1C1C(C2)C1(C)C.
What is the InChIKey of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone?
The InChIKey is NQHRPUQJUPOLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-13-18-16(7-15-19(18)21(15,4)5)25(23-13)10-17(26)24-12-22(6)9-14(24)8-20(2,3)11-22/h14-15,19H,7-12H2,1-6H3.
What are the key properties of 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone?
1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone has a molecular weight of 355.53 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)-2-(3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl)ethanone is sourced from PubChem (CID 630943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).