3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide

C12H23N3O — CID 61234096

IUPAC3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C2CCC1CC(N)C2
InChIInChI=1S/C12H23N3O/c1-14(2)12(16)5-6-15-10-3-4-11(15)8-9(13)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyFKNOBXWPEWIIQQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds3

About 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide (PubChem CID 61234096) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide
PubChem CID61234096
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1C2CCC1CC(N)C2
InChIInChI=1S/C12H23N3O/c1-14(2)12(16)5-6-15-10-3-4-11(15)8-9(13)7-10/h9-11H,3-8,13H2,1-2H3
InChIKeyFKNOBXWPEWIIQQ-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide (CID 61234096) is 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCN1C2CCC1CC(N)C2.
What is the InChIKey of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide?
The InChIKey is FKNOBXWPEWIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(2)12(16)5-6-15-10-3-4-11(15)8-9(13)7-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide?
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 61234096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).