2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide

C13H25N3O2 — CID 106239219

IUPAC2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
SMILESCNC1CC2CCCC(C1)N2CCOCC(N)=O
InChIInChI=1S/C13H25N3O2/c1-15-10-7-11-3-2-4-12(8-10)16(11)5-6-18-9-13(14)17/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyLFMTYXVQIQUEOW-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.09
Rot. Bonds6

About 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide

2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide (PubChem CID 106239219) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
PubChem CID106239219
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
SMILESCNC1CC2CCCC(C1)N2CCOCC(N)=O
InChIInChI=1S/C13H25N3O2/c1-15-10-7-11-3-2-4-12(8-10)16(11)5-6-18-9-13(14)17/h10-12,15H,2-9H2,1H3,(H2,14,17)
InChIKeyLFMTYXVQIQUEOW-UHFFFAOYSA-N
XLogP0.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide (CID 106239219) is 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide is CNC1CC2CCCC(C1)N2CCOCC(N)=O.
What is the InChIKey of 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide?
The InChIKey is LFMTYXVQIQUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15-10-7-11-3-2-4-12(8-10)16(11)5-6-18-9-13(14)17/h10-12,15H,2-9H2,1H3,(H2,14,17).
What are the key properties of 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide?
2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide has a molecular weight of 255.36 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide is sourced from PubChem (CID 106239219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).