3,5-dimethoxycyclohex-2-en-1-imine

C8H13NO2 — CID 91304520

IUPAC3,5-dimethoxycyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(OC)CC(OC)C1
InChIInChI=1S/C8H13NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3,8-9H,4-5H2,1-2H3/b9-6-
InChIKeyUOVNVRSOHHTSAQ-TWGQIWQCSA-N
MW155.20 g/mol
LogP1.35
Rot. Bonds2

About 3,5-dimethoxycyclohex-2-en-1-imine

3,5-dimethoxycyclohex-2-en-1-imine (PubChem CID 91304520) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,5-dimethoxycyclohex-2-en-1-imine.

Molecular Properties

Compound Name3,5-dimethoxycyclohex-2-en-1-imine
PubChem CID91304520
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3,5-dimethoxycyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(OC)CC(OC)C1
InChIInChI=1S/C8H13NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3,8-9H,4-5H2,1-2H3/b9-6-
InChIKeyUOVNVRSOHHTSAQ-TWGQIWQCSA-N
XLogP1.35
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Diethoxycyclohex-2-en-1-imine
CID 123422568
Ethane;3-ethoxycyclohex-2-en-1-imine
CID 144878388
3-Ethoxycyclohex-2-en-1-imine
CID 144878389
4-Methoxycyclohex-3-ene-1,2-diimine
CID 145321311

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxycyclohex-2-en-1-imine?
The IUPAC name of 3,5-dimethoxycyclohex-2-en-1-imine (CID 91304520) is 3,5-dimethoxycyclohex-2-en-1-imine.
What is the SMILES notation for 3,5-dimethoxycyclohex-2-en-1-imine?
The canonical SMILES for 3,5-dimethoxycyclohex-2-en-1-imine is [H]/N=C1/C=C(OC)CC(OC)C1.
What is the InChIKey of 3,5-dimethoxycyclohex-2-en-1-imine?
The InChIKey is UOVNVRSOHHTSAQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3,8-9H,4-5H2,1-2H3/b9-6-.
What are the key properties of 3,5-dimethoxycyclohex-2-en-1-imine?
3,5-dimethoxycyclohex-2-en-1-imine has a molecular weight of 155.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxycyclohex-2-en-1-imine is sourced from PubChem (CID 91304520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).