(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane

C11H19NO2 — CID 124554723

IUPAC(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
SMILESCN1[C@H]2CC[C@H]1CC(OC[C@H]1CO1)C2
InChIInChI=1S/C11H19NO2/c1-12-8-2-3-9(12)5-10(4-8)13-6-11-7-14-11/h8-11H,2-7H2,1H3/t8-,9-,11-/m0/s1
InChIKeyFCNOKGVSFUNMSU-QXEWZRGKSA-N
MW197.28 g/mol
LogP1.03
Rot. Bonds3

About (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane

(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 124554723) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
PubChem CID124554723
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
SMILESCN1[C@H]2CC[C@H]1CC(OC[C@H]1CO1)C2
InChIInChI=1S/C11H19NO2/c1-12-8-2-3-9(12)5-10(4-8)13-6-11-7-14-11/h8-11H,2-7H2,1H3/t8-,9-,11-/m0/s1
InChIKeyFCNOKGVSFUNMSU-QXEWZRGKSA-N
XLogP1.03
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968
(3R)-1-methyl-3-[[(2R)-oxiran-2-yl]methoxy]piperidine
CID 124845730
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 139990267
N-ethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 82709444
1,2,2,6,6-pentamethyl-4-(oxiran-2-ylmethoxy)piperidine;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 88687607
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) hydrogen sulfate;hydrate
CID 175968176
CID 102388178
CID 102388178
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane (CID 124554723) is (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane is CN1[C@H]2CC[C@H]1CC(OC[C@H]1CO1)C2.
What is the InChIKey of (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is FCNOKGVSFUNMSU-QXEWZRGKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-8-2-3-9(12)5-10(4-8)13-6-11-7-14-11/h8-11H,2-7H2,1H3/t8-,9-,11-/m0/s1.
What are the key properties of (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane?
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 197.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 124554723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).