N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

C9H16N2O — CID 23179603

IUPACN-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCON=C1CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2O/c1-11-8-3-4-9(11)6-7(5-8)10-12-2/h8-9H,3-6H2,1-2H3
InChIKeyRLKNBBVRNYWBCS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds1

About N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 23179603) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound NameN-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID23179603
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCON=C1CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2O/c1-11-8-3-4-9(11)6-7(5-8)10-12-2/h8-9H,3-6H2,1-2H3
InChIKeyRLKNBBVRNYWBCS-UHFFFAOYSA-N
XLogP1.25
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (CID 23179603) is N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is CON=C1CC2CCC(C1)N2C.
What is the InChIKey of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is RLKNBBVRNYWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-8-3-4-9(11)6-7(5-8)10-12-2/h8-9H,3-6H2,1-2H3.
What are the key properties of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 168.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 23179603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).