N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

C13H19NO2 — CID 144576337

IUPACN-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILESCC/N=C1\C=C(OC)C(OC)=CC1=C(C)C
InChIInChI=1S/C13H19NO2/c1-6-14-11-8-13(16-5)12(15-4)7-10(11)9(2)3/h7-8H,6H2,1-5H3/b14-11+
InChIKeyKBECPJSEBBRPPU-SDNWHVSQSA-N
MW221.30 g/mol
LogP2.86
Rot. Bonds3

About N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine

N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (PubChem CID 144576337) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
PubChem CID144576337
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
SMILESCC/N=C1\C=C(OC)C(OC)=CC1=C(C)C
InChIInChI=1S/C13H19NO2/c1-6-14-11-8-13(16-5)12(15-4)7-10(11)9(2)3/h7-8H,6H2,1-5H3/b14-11+
InChIKeyKBECPJSEBBRPPU-SDNWHVSQSA-N
XLogP2.86
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine (CID 144576337) is N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is CC/N=C1\C=C(OC)C(OC)=CC1=C(C)C.
What is the InChIKey of N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is KBECPJSEBBRPPU-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO2/c1-6-14-11-8-13(16-5)12(15-4)7-10(11)9(2)3/h7-8H,6H2,1-5H3/b14-11+.
What are the key properties of N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine?
N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 221.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 144576337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).