N-methoxy-1-azabicyclo[3.2.1]octan-4-amine

C8H16N2O — CID 105364799

IUPACN-methoxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESCONC1CCN2CCC1C2
InChIInChI=1S/C8H16N2O/c1-11-9-8-3-5-10-4-2-7(8)6-10/h7-9H,2-6H2,1H3
InChIKeyJZWZWMKMYQFNHR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.23
Rot. Bonds2

About N-methoxy-1-azabicyclo[3.2.1]octan-4-amine

N-methoxy-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364799) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-methoxy-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-methoxy-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364799
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-methoxy-1-azabicyclo[3.2.1]octan-4-amine
SMILESCONC1CCN2CCC1C2
InChIInChI=1S/C8H16N2O/c1-11-9-8-3-5-10-4-2-7(8)6-10/h7-9H,2-6H2,1H3
InChIKeyJZWZWMKMYQFNHR-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-methoxy-1-azabicyclo[3.2.1]octan-4-amine (CID 105364799) is N-methoxy-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-methoxy-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-methoxy-1-azabicyclo[3.2.1]octan-4-amine is CONC1CCN2CCC1C2.
What is the InChIKey of N-methoxy-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is JZWZWMKMYQFNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-11-9-8-3-5-10-4-2-7(8)6-10/h7-9H,2-6H2,1H3.
What are the key properties of N-methoxy-1-azabicyclo[3.2.1]octan-4-amine?
N-methoxy-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 156.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).