(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine

C8H15N3O — CID 129230388

IUPAC(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESCO/N=C1\CC2CN(C)C1C2N
InChIInChI=1S/C8H15N3O/c1-11-4-5-3-6(10-12-2)8(11)7(5)9/h5,7-8H,3-4,9H2,1-2H3/b10-6+
InChIKeyRRBBIDNKOUPJRY-UXBLZVDNSA-N
MW169.23 g/mol
LogP-0.35
Rot. Bonds1

About (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine

(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine (PubChem CID 129230388) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
PubChem CID129230388
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESCO/N=C1\CC2CN(C)C1C2N
InChIInChI=1S/C8H15N3O/c1-11-4-5-3-6(10-12-2)8(11)7(5)9/h5,7-8H,3-4,9H2,1-2H3/b10-6+
InChIKeyRRBBIDNKOUPJRY-UXBLZVDNSA-N
XLogP-0.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,1S,5S,8S)-N-methoxy-6-methyl-6-azatricyclo[3.2.1.03,8]octan-4-imine
CID 129230724
(4E)-1-ethyl-4-methoxyiminopyrrolidin-3-amine
CID 88565212
tert-butyl (4E)-3-amino-4-methoxyiminopiperidine-1-carboxylate
CID 155905421
(3Z)-3-methoxyiminopiperidin-4-amine
CID 55284082
4-amino-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103790
(1S)-2-methoxyiminocyclohexan-1-amine
CID 123180049
2-[(4Z)-1-ethyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
CID 88969633
ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 177136991
methyl (3S,3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 146435938
(1R,4R,6S,7R)-2-methyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
CID 129230384
2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
CID 58420499
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114

Frequently Asked Questions

What is the IUPAC name of (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
The IUPAC name of (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine (CID 129230388) is (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine is CO/N=C1\CC2CN(C)C1C2N.
What is the InChIKey of (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
The InChIKey is RRBBIDNKOUPJRY-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-4-5-3-6(10-12-2)8(11)7(5)9/h5,7-8H,3-4,9H2,1-2H3/b10-6+.
What are the key properties of (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine?
(6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine has a molecular weight of 169.23 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-methoxyimino-2-methyl-2-azabicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 129230388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).