N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide

C46H84N8O4 — CID 159596502

IUPACN-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)C(=O)N[C@H]1CC2CCN(C2)C1
InChIInChI=1S/2C12H22N2O.2C11H20N2O/c2*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10;2*1-8(2)11(14)12-10-5-9-3-4-13(6-9)7-10/h2*9-10H,4-8H2,1-3H3,(H,13,15);2*8-10H,3-7H2,1-2H3,(H,12,14)/t4*9?,10-/m1010/s1
InChIKeyMKXLRJURXDCFDA-KAIBHLDMSA-N
MW813.23 g/mol
LogP4.19
Rot. Bonds6

About N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide

N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide (PubChem CID 159596502) has the molecular formula C46H84N8O4 and a molecular weight of 813.23 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide
PubChem CID159596502
Molecular FormulaC46H84N8O4
Molecular Weight813.23 g/mol
Exact Mass812.66
IUPAC NameN-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)C(=O)N[C@H]1CC2CCN(C2)C1
InChIInChI=1S/2C12H22N2O.2C11H20N2O/c2*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10;2*1-8(2)11(14)12-10-5-9-3-4-13(6-9)7-10/h2*9-10H,4-8H2,1-3H3,(H,13,15);2*8-10H,3-7H2,1-2H3,(H,12,14)/t4*9?,10-/m1010/s1
InChIKeyMKXLRJURXDCFDA-KAIBHLDMSA-N
XLogP4.19
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500813.23
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3S,4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide;N-[(3S,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2,2-dimethylpropanamide
CID 158406014
bis(N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide);bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)
CID 158668280
N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide
CID 158952977
1-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-3,3-dimethylbutan-2-one;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;bis(N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide)
CID 159013686

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide (CID 159596502) is N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide is CC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)C(=O)N[C@H]1CC2CCN(C2)C1.
What is the InChIKey of N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide?
The InChIKey is MKXLRJURXDCFDA-KAIBHLDMSA-N. The full InChI is InChI=1S/2C12H22N2O.2C11H20N2O/c2*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10;2*1-8(2)11(14)12-10-5-9-3-4-13(6-9)7-10/h2*9-10H,4-8H2,1-3H3,(H,13,15);2*8-10H,3-7H2,1-2H3,(H,12,14)/t4*9?,10-/m1010/s1.
What are the key properties of N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide?
N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide has a molecular weight of 813.23 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 159596502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).