9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol

C9H17NO2 — CID 115013879

IUPAC9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol
SMILESNCC1C2COCC1CC(O)C2
InChIInChI=1S/C9H17NO2/c10-3-9-6-1-8(11)2-7(9)5-12-4-6/h6-9,11H,1-5,10H2
InChIKeyKBUCZJYHUMTGOV-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.02
Rot. Bonds1

About 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol

9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol (PubChem CID 115013879) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol
PubChem CID115013879
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol
SMILESNCC1C2COCC1CC(O)C2
InChIInChI=1S/C9H17NO2/c10-3-9-6-1-8(11)2-7(9)5-12-4-6/h6-9,11H,1-5,10H2
InChIKeyKBUCZJYHUMTGOV-UHFFFAOYSA-N
XLogP-0.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol (CID 115013879) is 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol is NCC1C2COCC1CC(O)C2.
What is the InChIKey of 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol?
The InChIKey is KBUCZJYHUMTGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-3-9-6-1-8(11)2-7(9)5-12-4-6/h6-9,11H,1-5,10H2.
What are the key properties of 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol?
9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol has a molecular weight of 171.24 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(aminomethyl)-3-oxabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 115013879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).