(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine

C10H18N2O — CID 10726128

IUPAC(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
SMILESCO/N=C(\C)C12CCCN(CC1)C2
InChIInChI=1S/C10H18N2O/c1-9(11-13-2)10-4-3-6-12(8-10)7-5-10/h3-8H2,1-2H3/b11-9+
InChIKeyZHJUHFJZXPIBHF-PKNBQFBNSA-N
MW182.27 g/mol
LogP1.49
Rot. Bonds2

About (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine

(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine (PubChem CID 10726128) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
PubChem CID10726128
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine
SMILESCO/N=C(\C)C12CCCN(CC1)C2
InChIInChI=1S/C10H18N2O/c1-9(11-13-2)10-4-3-6-12(8-10)7-5-10/h3-8H2,1-2H3/b11-9+
InChIKeyZHJUHFJZXPIBHF-PKNBQFBNSA-N
XLogP1.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.49
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

1-(1-azabicyclo[3.1.1]heptan-5-yl)-N-methoxyethanimine
CID 54262319
(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
N-methoxy-N-methyl-1-azabicyclo[2.2.1]heptane-4-carboxamide
CID 15663618
1-azabicyclo[2.2.1]heptane-4-carboxylic acid
CID 21202810
methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
CID 70091384
5-(2,2-dibromoethenyl)-1-azabicyclo[3.2.1]octane
CID 15663627
1-(1-azabicyclo[2.2.2]octan-4-yl)ethanone perchlorate
CID 132587337
5,5-difluoro-1-azabicyclo[4.2.1]nonan-6-amine
CID 105436436

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine (CID 10726128) is (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine is CO/N=C(\C)C12CCCN(CC1)C2.
What is the InChIKey of (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine?
The InChIKey is ZHJUHFJZXPIBHF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(11-13-2)10-4-3-6-12(8-10)7-5-10/h3-8H2,1-2H3/b11-9+.
What are the key properties of (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine?
(E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine has a molecular weight of 182.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-azabicyclo[3.2.1]octan-5-yl)-N-methoxyethanimine is sourced from PubChem (CID 10726128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).