2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone

C16H28N2O — CID 79614899

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2O/c1-11(2)15-4-3-7-18(15)16(19)10-12-8-13-5-6-14(9-12)17-13/h11-15,17H,3-10H2,1-2H3
InChIKeyDXVNKRAXYOGZHK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.55
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 79614899) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID79614899
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H28N2O/c1-11(2)15-4-3-7-18(15)16(19)10-12-8-13-5-6-14(9-12)17-13/h11-15,17H,3-10H2,1-2H3
InChIKeyDXVNKRAXYOGZHK-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone with MolForge

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Related Compounds

methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-methylbutyl)piperidin-1-yl]ethanone;hydrochloride
CID 119822367
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)ethanone
CID 119809602
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 119728138
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
1-(4-acetyl-1,4-diazepan-1-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79610796
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721663

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone (CID 79614899) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is DXVNKRAXYOGZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)15-4-3-7-18(15)16(19)10-12-8-13-5-6-14(9-12)17-13/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79614899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).