2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide

C17H31N3O — CID 105417599

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O/c1-19(2)17(7-4-8-17)12-20(3)16(21)11-13-9-14-5-6-15(10-13)18-14/h13-15,18H,4-12H2,1-3H3
InChIKeyGBTGDRWMYMBQPV-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide (PubChem CID 105417599) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide
PubChem CID105417599
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H31N3O/c1-19(2)17(7-4-8-17)12-20(3)16(21)11-13-9-14-5-6-15(10-13)18-14/h13-15,18H,4-12H2,1-3H3
InChIKeyGBTGDRWMYMBQPV-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide with MolForge

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Related Compounds

2-[(endo)-8-(tert-Butylcarbamoyl)methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2,2-dimethylpropyl) acetamide
CID 126736662
[2-(Aminomethyl)-3-methylpiperidin-1-yl]-cycloheptylmethanone
CID 64021887
(2S,5R)-2-ethyl-1,9-diazaspiro[4.5]decan-10-one
CID 53254510
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 79607017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79607028
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79607344
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79607862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79610306
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79610310
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 79615326
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105937656
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 113266440

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide (CID 105417599) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide is CN(CC1(N(C)C)CCC1)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide?
The InChIKey is GBTGDRWMYMBQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-19(2)17(7-4-8-17)12-20(3)16(21)11-13-9-14-5-6-15(10-13)18-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide has a molecular weight of 293.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide is sourced from PubChem (CID 105417599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).