(E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C11H19NO — CID 121216346

IUPAC(E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCO/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C11H19NO/c1-10(2)8-5-6-11(10,3)9(7-8)12-13-4/h8H,5-7H2,1-4H3/b12-9+
InChIKeyWGUFMRSWXMTFJZ-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.84
Rot. Bonds1

About (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

(E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 121216346) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID121216346
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESCO/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C11H19NO/c1-10(2)8-5-6-11(10,3)9(7-8)12-13-4/h8H,5-7H2,1-4H3/b12-9+
InChIKeyWGUFMRSWXMTFJZ-FMIVXFBMSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.84
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 (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 121216346) is (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is CO/N=C1\CC2CCC1(C)C2(C)C.
What is the InChIKey of (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is WGUFMRSWXMTFJZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)8-5-6-11(10,3)9(7-8)12-13-4/h8H,5-7H2,1-4H3/b12-9+.
What are the key properties of (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
(E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 181.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 121216346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).