N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine

C10H17NO — CID 74421305

IUPACN-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine
SMILESCON=C1CCC2CC1C2(C)C
InChIInChI=1S/C10H17NO/c1-10(2)7-4-5-9(11-12-3)8(10)6-7/h7-8H,4-6H2,1-3H3
InChIKeyZIRVKTQWZHEGDQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.44
Rot. Bonds1

About N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine

N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine (PubChem CID 74421305) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine.

Molecular Properties

Compound NameN-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine
PubChem CID74421305
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine
SMILESCON=C1CCC2CC1C2(C)C
InChIInChI=1S/C10H17NO/c1-10(2)7-4-5-9(11-12-3)8(10)6-7/h7-8H,4-6H2,1-3H3
InChIKeyZIRVKTQWZHEGDQ-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.44
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-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine?
The IUPAC name of N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine (CID 74421305) is N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine.
What is the SMILES notation for N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine?
The canonical SMILES for N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine is CON=C1CCC2CC1C2(C)C.
What is the InChIKey of N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine?
The InChIKey is ZIRVKTQWZHEGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2)7-4-5-9(11-12-3)8(10)6-7/h7-8H,4-6H2,1-3H3.
What are the key properties of N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine?
N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine has a molecular weight of 167.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine is sourced from PubChem (CID 74421305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).