N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide

C13H25N3O — CID 62738654

IUPACN-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
SMILESCCNC(=O)C(C)N1C2CCC1CC(NC)C2
InChIInChI=1S/C13H25N3O/c1-4-15-13(17)9(2)16-11-5-6-12(16)8-10(7-11)14-3/h9-12,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyOXQBWBIXTUXKAJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds4

About N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide

N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide (PubChem CID 62738654) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
PubChem CID62738654
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide
SMILESCCNC(=O)C(C)N1C2CCC1CC(NC)C2
InChIInChI=1S/C13H25N3O/c1-4-15-13(17)9(2)16-11-5-6-12(16)8-10(7-11)14-3/h9-12,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyOXQBWBIXTUXKAJ-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
The IUPAC name of N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide (CID 62738654) is N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide.
What is the SMILES notation for N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
The canonical SMILES for N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide is CCNC(=O)C(C)N1C2CCC1CC(NC)C2.
What is the InChIKey of N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
The InChIKey is OXQBWBIXTUXKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-15-13(17)9(2)16-11-5-6-12(16)8-10(7-11)14-3/h9-12,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide?
N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]propanamide is sourced from PubChem (CID 62738654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).