1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone

C10H18N2O — CID 54483412

IUPAC1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESCC(=O)N1CC2CC(N)CC(C2)C1
InChIInChI=1S/C10H18N2O/c1-7(13)12-5-8-2-9(6-12)4-10(11)3-8/h8-10H,2-6,11H2,1H3
InChIKeyXQPPLQDJJKUPOP-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.59
Rot. Bonds

About 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone

1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone (PubChem CID 54483412) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
PubChem CID54483412
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESCC(=O)N1CC2CC(N)CC(C2)C1
InChIInChI=1S/C10H18N2O/c1-7(13)12-5-8-2-9(6-12)4-10(11)3-8/h8-10H,2-6,11H2,1H3
InChIKeyXQPPLQDJJKUPOP-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The IUPAC name of 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone (CID 54483412) is 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone.
What is the SMILES notation for 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The canonical SMILES for 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone is CC(=O)N1CC2CC(N)CC(C2)C1.
What is the InChIKey of 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The InChIKey is XQPPLQDJJKUPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(13)12-5-8-2-9(6-12)4-10(11)3-8/h8-10H,2-6,11H2,1H3.
What are the key properties of 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3-azabicyclo[3.3.1]nonan-3-yl)ethanone is sourced from PubChem (CID 54483412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).