1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine

C9H16N2O — CID 54262319

IUPAC1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine
SMILESCON=C(C)C12CCCN(C1)C2
InChIInChI=1S/C9H16N2O/c1-8(10-12-2)9-4-3-5-11(6-9)7-9/h3-7H2,1-2H3
InChIKeyREJDDVBIUDGNMF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds2

About 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine

1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine (PubChem CID 54262319) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine.

Molecular Properties

Compound Name1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine
PubChem CID54262319
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine
SMILESCON=C(C)C12CCCN(C1)C2
InChIInChI=1S/C9H16N2O/c1-8(10-12-2)9-4-3-5-11(6-9)7-9/h3-7H2,1-2H3
InChIKeyREJDDVBIUDGNMF-UHFFFAOYSA-N
XLogP1.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
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'}

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Related Compounds

(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
CID 10726128
(5R)-N-methoxy-1-azabicyclo[3.2.1]octane-5-carboximidoyl cyanide
CID 123198252
N-methoxy-N-methyl-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 15663616
1-(1-azabicyclo[2.2.1]heptan-4-yl)ethanone
CID 10678310
N-methoxy-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 10583285
methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
(3S)-1-methyl-3-pyrrolidin-1-ylpyrrolidin-3-ol
CID 124638982
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983
3-methoxy-1-methylpyrrolidin-3-ol
CID 70383865
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366316

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine?
The IUPAC name of 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine (CID 54262319) is 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine.
What is the SMILES notation for 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine?
The canonical SMILES for 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine is CON=C(C)C12CCCN(C1)C2.
What is the InChIKey of 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine?
The InChIKey is REJDDVBIUDGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(10-12-2)9-4-3-5-11(6-9)7-9/h3-7H2,1-2H3.
What are the key properties of 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine?
1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine is sourced from PubChem (CID 54262319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).