(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine

C10H17NO — CID 143787771

IUPAC(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine
SMILESC=C(/C(=C\C)OCC)/C(C)=N/C
InChIInChI=1S/C10H17NO/c1-6-10(12-7-2)8(3)9(4)11-5/h6H,3,7H2,1-2,4-5H3/b10-6+,11-9+
InChIKeyCMFIDGRDVRVMMM-BBYAVRKXSA-N
MW167.25 g/mol
LogP2.57
Rot. Bonds4

About (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine

(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine (PubChem CID 143787771) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine.

Molecular Properties

Compound Name(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine
PubChem CID143787771
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine
SMILESC=C(/C(=C\C)OCC)/C(C)=N/C
InChIInChI=1S/C10H17NO/c1-6-10(12-7-2)8(3)9(4)11-5/h6H,3,7H2,1-2,4-5H3/b10-6+,11-9+
InChIKeyCMFIDGRDVRVMMM-BBYAVRKXSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine 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 (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine?
The IUPAC name of (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine (CID 143787771) is (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine.
What is the SMILES notation for (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine?
The canonical SMILES for (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine is C=C(/C(=C\C)OCC)/C(C)=N/C.
What is the InChIKey of (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine?
The InChIKey is CMFIDGRDVRVMMM-BBYAVRKXSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-10(12-7-2)8(3)9(4)11-5/h6H,3,7H2,1-2,4-5H3/b10-6+,11-9+.
What are the key properties of (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine?
(E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine has a molecular weight of 167.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethoxy-N-methyl-3-methylidenehex-4-en-2-imine is sourced from PubChem (CID 143787771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).