(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine

C9H17NO2 — CID 130755410

IUPAC(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine
SMILESCOC1C[C@H]2COC[C@@H](C1)C2N
InChIInChI=1S/C9H17NO2/c1-11-8-2-6-4-12-5-7(3-8)9(6)10/h6-9H,2-5,10H2,1H3/t6-,7+,8?,9?
InChIKeyNUJVJWQILCOBEG-QPIHLSAKSA-N
MW171.24 g/mol
LogP0.39
Rot. Bonds1

About (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine

(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine (PubChem CID 130755410) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine
PubChem CID130755410
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine
SMILESCOC1C[C@H]2COC[C@@H](C1)C2N
InChIInChI=1S/C9H17NO2/c1-11-8-2-6-4-12-5-7(3-8)9(6)10/h6-9H,2-5,10H2,1H3/t6-,7+,8?,9?
InChIKeyNUJVJWQILCOBEG-QPIHLSAKSA-N
XLogP0.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine (CID 130755410) is (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine is COC1C[C@H]2COC[C@@H](C1)C2N.
What is the InChIKey of (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine?
The InChIKey is NUJVJWQILCOBEG-QPIHLSAKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-11-8-2-6-4-12-5-7(3-8)9(6)10/h6-9H,2-5,10H2,1H3/t6-,7+,8?,9?.
What are the key properties of (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine?
(1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine has a molecular weight of 171.24 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7-methoxy-3-oxabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 130755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).