2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide

C11H21N3O — CID 61235196

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C11H21N3O/c1-2-13-11(15)7-14-9-3-4-10(14)6-8(12)5-9/h8-10H,2-7,12H2,1H3,(H,13,15)
InChIKeyKLVJBJOOPVPXFA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.08
Rot. Bonds3

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide (PubChem CID 61235196) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
PubChem CID61235196
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C2CCC1CC(N)C2
InChIInChI=1S/C11H21N3O/c1-2-13-11(15)7-14-9-3-4-10(14)6-8(12)5-9/h8-10H,2-7,12H2,1H3,(H,13,15)
InChIKeyKLVJBJOOPVPXFA-UHFFFAOYSA-N
XLogP0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide (CID 61235196) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide is CCNC(=O)CN1C2CCC1CC(N)C2.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide?
The InChIKey is KLVJBJOOPVPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-13-11(15)7-14-9-3-4-10(14)6-8(12)5-9/h8-10H,2-7,12H2,1H3,(H,13,15).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide has a molecular weight of 211.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-ethylacetamide is sourced from PubChem (CID 61235196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).