(Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine

C14H23NO — CID 44628018

IUPAC(Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
SMILESCO/N=C(C)\C=C\C1C(C)=CCCC1(C)C
InChIInChI=1S/C14H23NO/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-16-5/h7-9,13H,6,10H2,1-5H3/b9-8+,15-12-
InChIKeyAELHASQYTOGISV-YHAURASGSA-N
MW221.34 g/mol
LogP3.95
Rot. Bonds3

About (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine

(Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine (PubChem CID 44628018) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine.

Molecular Properties

Compound Name(Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
PubChem CID44628018
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine
SMILESCO/N=C(C)\C=C\C1C(C)=CCCC1(C)C
InChIInChI=1S/C14H23NO/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-16-5/h7-9,13H,6,10H2,1-5H3/b9-8+,15-12-
InChIKeyAELHASQYTOGISV-YHAURASGSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-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 (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine?
The IUPAC name of (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine (CID 44628018) is (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine.
What is the SMILES notation for (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine?
The canonical SMILES for (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine is CO/N=C(C)\C=C\C1C(C)=CCCC1(C)C.
What is the InChIKey of (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine?
The InChIKey is AELHASQYTOGISV-YHAURASGSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-16-5/h7-9,13H,6,10H2,1-5H3/b9-8+,15-12-.
What are the key properties of (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine?
(Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine has a molecular weight of 221.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-N-methoxy-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-imine is sourced from PubChem (CID 44628018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).