(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine

C18H22N2O — CID 138602838

IUPAC(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine
SMILESC=C/C=C1\C(=C)C(=N\C)/C(=C/C(C)OC)C(=C)\C1=N\C=C
InChIInChI=1S/C18H22N2O/c1-8-10-15-13(4)17(19-6)16(11-12(3)21-7)14(5)18(15)20-9-2/h8-12H,1-2,4-5H2,3,6-7H3/b15-10+,16-11+,19-17+,20-18+
InChIKeyXAVCGRVQENJWTI-WVFXJVLVSA-N
MW282.39 g/mol
LogP3.84
Rot. Bonds4

About (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine

(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine (PubChem CID 138602838) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine.

Molecular Properties

Compound Name(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine
PubChem CID138602838
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine
SMILESC=C/C=C1\C(=C)C(=N\C)/C(=C/C(C)OC)C(=C)\C1=N\C=C
InChIInChI=1S/C18H22N2O/c1-8-10-15-13(4)17(19-6)16(11-12(3)21-7)14(5)18(15)20-9-2/h8-12H,1-2,4-5H2,3,6-7H3/b15-10+,16-11+,19-17+,20-18+
InChIKeyXAVCGRVQENJWTI-WVFXJVLVSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine?
The IUPAC name of (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine (CID 138602838) is (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine.
What is the SMILES notation for (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine?
The canonical SMILES for (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine is C=C/C=C1\C(=C)C(=N\C)/C(=C/C(C)OC)C(=C)\C1=N\C=C.
What is the InChIKey of (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine?
The InChIKey is XAVCGRVQENJWTI-WVFXJVLVSA-N. The full InChI is InChI=1S/C18H22N2O/c1-8-10-15-13(4)17(19-6)16(11-12(3)21-7)14(5)18(15)20-9-2/h8-12H,1-2,4-5H2,3,6-7H3/b15-10+,16-11+,19-17+,20-18+.
What are the key properties of (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine?
(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine has a molecular weight of 282.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine is sourced from PubChem (CID 138602838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).