2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide

C11H21N3O2 — CID 106239226

IUPAC2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide
SMILESNC(=O)COCCN1C2CCC1CC(N)C2
InChIInChI=1S/C11H21N3O2/c12-8-5-9-1-2-10(6-8)14(9)3-4-16-7-11(13)15/h8-10H,1-7,12H2,(H2,13,15)
InChIKeyRCRIEMUJGNKEGA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.56
Rot. Bonds5

About 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide

2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide (PubChem CID 106239226) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide
PubChem CID106239226
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide
SMILESNC(=O)COCCN1C2CCC1CC(N)C2
InChIInChI=1S/C11H21N3O2/c12-8-5-9-1-2-10(6-8)14(9)3-4-16-7-11(13)15/h8-10H,1-7,12H2,(H2,13,15)
InChIKeyRCRIEMUJGNKEGA-UHFFFAOYSA-N
XLogP-0.56
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.56
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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Related Compounds

8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 104565118
2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol
CID 61234287
2-[2-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]ethoxy]acetamide
CID 106239219
9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103815957
5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride
CID 18919570
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
CID 106235673
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70332467
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide
CID 61234096
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol;dihydrochloride
CID 67571700
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285
N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114469662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide (CID 106239226) is 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide is NC(=O)COCCN1C2CCC1CC(N)C2.
What is the InChIKey of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide?
The InChIKey is RCRIEMUJGNKEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-8-5-9-1-2-10(6-8)14(9)3-4-16-7-11(13)15/h8-10H,1-7,12H2,(H2,13,15).
What are the key properties of 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide?
2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide is sourced from PubChem (CID 106239226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).