7-(aminomethyl)bicyclo[3.3.1]nonan-3-one

C10H17NO — CID 533918

IUPAC7-(aminomethyl)bicyclo[3.3.1]nonan-3-one
SMILESNCC1CC2CC(=O)CC(C1)C2
InChIInChI=1S/C10H17NO/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-9H,1-6,11H2
InChIKeyRMIXYJMYTKDMQI-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.34
Rot. Bonds1

About 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one

7-(aminomethyl)bicyclo[3.3.1]nonan-3-one (PubChem CID 533918) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name7-(aminomethyl)bicyclo[3.3.1]nonan-3-one
PubChem CID533918
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name7-(aminomethyl)bicyclo[3.3.1]nonan-3-one
SMILESNCC1CC2CC(=O)CC(C1)C2
InChIInChI=1S/C10H17NO/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-9H,1-6,11H2
InChIKeyRMIXYJMYTKDMQI-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one?
The IUPAC name of 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one (CID 533918) is 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one is NCC1CC2CC(=O)CC(C1)C2.
What is the InChIKey of 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one?
The InChIKey is RMIXYJMYTKDMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-9H,1-6,11H2.
What are the key properties of 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one?
7-(aminomethyl)bicyclo[3.3.1]nonan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)bicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 533918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).