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

C44H80N8O4 — CID 158406014

About 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

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 (PubChem CID 158406014) has the molecular formula C44H80N8O4 and a molecular weight of 785.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158406014
• Molecular Formula: C44H80N8O4
• Molecular Weight: 785.18 g/mol
• Exact Mass: 784.63
• IUPAC Name: 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
• SMILES: CC(C)(C)C(=O)N[C@@H]1CN2CC[C@@H]1C2.CC(C)(C)C(=O)N[C@@H]1CN2CC[C@H]1C2.CC(C)(C)C(=O)N[C@H]1CN2CC[C@@H]1C2.CC(C)(C)C(=O)N[C@H]1CN2CC[C@H]1C2
• InChI: InChI=1S/4C11H20N2O/c4*1-11(2,3)10(14)12-9-7-13-5-4-8(9)6-13/h4*8-9H,4-7H2,1-3H3,(H,12,14)/t2*8-,9+;2*8-,9-/m1010/s1
• InChIKey: GYRZRXIFAVMZKV-HBDRGAAASA-N
• XLogP: 3.41
• TPSA: 129.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	785.18
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)C(=O)N[C@@H]1CN2CC[C@@H]1C2.CC(C)(C)C(=O)N[C@@H]1CN2CC[C@H]1C2.CC(C)(C)C(=O)N[C@H]1CN2CC[C@@H]1C2.CC(C)(C)C(=O)N[C@H]1CN2CC[C@H]1C2.

What is the InChIKey of 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?

The InChIKey is GYRZRXIFAVMZKV-HBDRGAAASA-N. The full InChI is InChI=1S/4C11H20N2O/c4*1-11(2,3)10(14)12-9-7-13-5-4-8(9)6-13/h4*8-9H,4-7H2,1-3H3,(H,12,14)/t2*8-,9+;2*8-,9-/m1010/s1.

What are the key properties of 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?

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 has a molecular weight of 785.18 g/mol, XLogP of 3.41, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158406014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).