3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine

C11H19NO — CID 11055968

IUPAC3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine
SMILESCCOC1=C/C(=N\C)CC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-5-13-10-6-9(12-4)7-11(2,3)8-10/h6H,5,7-8H2,1-4H3/b12-9+
InChIKeyMNYLITRJPSFAIA-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.80
Rot. Bonds2

About 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine

3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine (PubChem CID 11055968) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine
PubChem CID11055968
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine
SMILESCCOC1=C/C(=N\C)CC(C)(C)C1
InChIInChI=1S/C11H19NO/c1-5-13-10-6-9(12-4)7-11(2,3)8-10/h6H,5,7-8H2,1-4H3/b12-9+
InChIKeyMNYLITRJPSFAIA-FMIVXFBMSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
The IUPAC name of 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine (CID 11055968) is 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
The canonical SMILES for 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine is CCOC1=C/C(=N\C)CC(C)(C)C1.
What is the InChIKey of 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
The InChIKey is MNYLITRJPSFAIA-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-13-10-6-9(12-4)7-11(2,3)8-10/h6H,5,7-8H2,1-4H3/b12-9+.
What are the key properties of 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine?
3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,5,5-trimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 11055968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).