1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone

C11H20N2O — CID 71628998

IUPAC1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCC(CN)C2)C1
InChIInChI=1S/C11H20N2O/c1-9(14)13-5-4-11(8-13)3-2-10(6-11)7-12/h10H,2-8,12H2,1H3
InChIKeyQNWLWCRQXKNVFB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds1

About 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone

1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone (PubChem CID 71628998) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
PubChem CID71628998
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCC(CN)C2)C1
InChIInChI=1S/C11H20N2O/c1-9(14)13-5-4-11(8-13)3-2-10(6-11)7-12/h10H,2-8,12H2,1H3
InChIKeyQNWLWCRQXKNVFB-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
The IUPAC name of 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone (CID 71628998) is 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
The canonical SMILES for 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone is CC(=O)N1CCC2(CCC(CN)C2)C1.
What is the InChIKey of 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
The InChIKey is QNWLWCRQXKNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(14)13-5-4-11(8-13)3-2-10(6-11)7-12/h10H,2-8,12H2,1H3.
What are the key properties of 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone is sourced from PubChem (CID 71628998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).