(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

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Related Compounds

9-amino-3-oxabicyclo[3.3.1]nonan-7-ol
CID 115012270
[(3S,5S)-5-methoxyoxan-3-yl]methanamine
CID 59234207
1,3,5-trimethoxycyclohexane
CID 547415
7-methoxy-3-oxabicyclo[3.3.1]nonan-9-one
CID 68652497
7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
CID 154978917
(3R,5S)-5-methoxyoxane-3-carboxamide
CID 69124485
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
CID 175218198
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
[(3S,5S)-5-methoxyoxepan-3-yl]methanamine
CID 59234185
2-methoxy-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 155006906

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).