(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine

C13H21NO — CID 134385499

IUPAC(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine
SMILESC=C(OCC)/C(C)=C/C(=C)/C(C)=N/CC
InChIInChI=1S/C13H21NO/c1-7-14-12(5)10(3)9-11(4)13(6)15-8-2/h9H,3,6-8H2,1-2,4-5H3/b11-9+,14-12+
InChIKeyCOGDCORYOMTEMY-HUJVCGDBSA-N
MW207.32 g/mol
LogP3.52
Rot. Bonds6

About (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine

(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine (PubChem CID 134385499) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine
PubChem CID134385499
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine
SMILESC=C(OCC)/C(C)=C/C(=C)/C(C)=N/CC
InChIInChI=1S/C13H21NO/c1-7-14-12(5)10(3)9-11(4)13(6)15-8-2/h9H,3,6-8H2,1-2,4-5H3/b11-9+,14-12+
InChIKeyCOGDCORYOMTEMY-HUJVCGDBSA-N
XLogP3.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.52
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine?
The IUPAC name of (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine (CID 134385499) is (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine.
What is the SMILES notation for (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine?
The canonical SMILES for (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine is C=C(OCC)/C(C)=C/C(=C)/C(C)=N/CC.
What is the InChIKey of (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine?
The InChIKey is COGDCORYOMTEMY-HUJVCGDBSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-14-12(5)10(3)9-11(4)13(6)15-8-2/h9H,3,6-8H2,1-2,4-5H3/b11-9+,14-12+.
What are the key properties of (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine?
(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine has a molecular weight of 207.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine is sourced from PubChem (CID 134385499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).