(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine

C9H14N2O — CID 129230724

IUPAC(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine
SMILESCO/N=C1\C2C[C@@H]3CN(C)[C@H]1[C@H]23
InChIInChI=1S/C9H14N2O/c1-11-4-5-3-6-7(5)9(11)8(6)10-12-2/h5-7,9H,3-4H2,1-2H3/b10-8+/t5-,6?,7+,9+/m1/s1
InChIKeyHPZXVZCTVFOMDG-PGYTZIINSA-N
MW166.22 g/mol
LogP0.57
Rot. Bonds1

About (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine

(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine (PubChem CID 129230724) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine.

Molecular Properties

Compound Name(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine
PubChem CID129230724
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine
SMILESCO/N=C1\C2C[C@@H]3CN(C)[C@H]1[C@H]23
InChIInChI=1S/C9H14N2O/c1-11-4-5-3-6-7(5)9(11)8(6)10-12-2/h5-7,9H,3-4H2,1-2H3/b10-8+/t5-,6?,7+,9+/m1/s1
InChIKeyHPZXVZCTVFOMDG-PGYTZIINSA-N
XLogP0.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine with MolForge

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Launch Full Analysis

Related Compounds

(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 129230388
(1R,2S,5S)-2-(1-methoxyethenyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167254812
(1S,2S,4R,5R)-N-methoxy-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 54586140
(1S,5R,8R)-6-methyl-6-azatricyclo[3.2.1.03,8]octane
CID 129230068
(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-N-methoxy-3-methyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 54584216
(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115071421
(E,1S,3R,5S)-N-methoxy-3-(2-methoxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-imine
CID 24751194
(E,1S,5R)-N-methoxy-6,6-dimethyl-3-prop-2-enylbicyclo[3.1.1]heptan-2-imine
CID 58974261
(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine
CID 88565212
(1S,2S)-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 164921904
N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
CID 71590609

Frequently Asked Questions

What is the IUPAC name of (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine?
The IUPAC name of (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine (CID 129230724) is (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine.
What is the SMILES notation for (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine?
The canonical SMILES for (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine is CO/N=C1\C2C[C@@H]3CN(C)[C@H]1[C@H]23.
What is the InChIKey of (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine?
The InChIKey is HPZXVZCTVFOMDG-PGYTZIINSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-4-5-3-6-7(5)9(11)8(6)10-12-2/h5-7,9H,3-4H2,1-2H3/b10-8+/t5-,6?,7+,9+/m1/s1.
What are the key properties of (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine?
(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine has a molecular weight of 166.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine is sourced from PubChem (CID 129230724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).