N-methoxybicyclo[3.1.1]heptan-2-imine

C8H13NO — CID 141284498

IUPACN-methoxybicyclo[3.1.1]heptan-2-imine
SMILESCON=C1CCC2CC1C2
InChIInChI=1S/C8H13NO/c1-10-9-8-3-2-6-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKeyOXIYJSIBUDYWTI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.81
Rot. Bonds1

About N-methoxybicyclo[3.1.1]heptan-2-imine

N-methoxybicyclo[3.1.1]heptan-2-imine (PubChem CID 141284498) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methoxybicyclo[3.1.1]heptan-2-imine.

Molecular Properties

Compound NameN-methoxybicyclo[3.1.1]heptan-2-imine
PubChem CID141284498
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methoxybicyclo[3.1.1]heptan-2-imine
SMILESCON=C1CCC2CC1C2
InChIInChI=1S/C8H13NO/c1-10-9-8-3-2-6-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKeyOXIYJSIBUDYWTI-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxybicyclo[3.1.1]heptan-2-imine?
The IUPAC name of N-methoxybicyclo[3.1.1]heptan-2-imine (CID 141284498) is N-methoxybicyclo[3.1.1]heptan-2-imine.
What is the SMILES notation for N-methoxybicyclo[3.1.1]heptan-2-imine?
The canonical SMILES for N-methoxybicyclo[3.1.1]heptan-2-imine is CON=C1CCC2CC1C2.
What is the InChIKey of N-methoxybicyclo[3.1.1]heptan-2-imine?
The InChIKey is OXIYJSIBUDYWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-9-8-3-2-6-4-7(8)5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-methoxybicyclo[3.1.1]heptan-2-imine?
N-methoxybicyclo[3.1.1]heptan-2-imine has a molecular weight of 139.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxybicyclo[3.1.1]heptan-2-imine is sourced from PubChem (CID 141284498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).