(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine

C13H23NO — CID 134555754

IUPAC(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine
SMILESCCC/C=C(/C=C\C(C)=N\C)OCCC
InChIInChI=1S/C13H23NO/c1-5-7-8-13(15-11-6-2)10-9-12(3)14-4/h8-10H,5-7,11H2,1-4H3/b10-9-,13-8-,14-12+
InChIKeyYSEOLQVTEGJQJO-UETPGWAMSA-N
MW209.33 g/mol
LogP3.74
Rot. Bonds7

About (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine

(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine (PubChem CID 134555754) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine
PubChem CID134555754
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine
SMILESCCC/C=C(/C=C\C(C)=N\C)OCCC
InChIInChI=1S/C13H23NO/c1-5-7-8-13(15-11-6-2)10-9-12(3)14-4/h8-10H,5-7,11H2,1-4H3/b10-9-,13-8-,14-12+
InChIKeyYSEOLQVTEGJQJO-UETPGWAMSA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.74
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 (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine (CID 134555754) is (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine is CCC/C=C(/C=C\C(C)=N\C)OCCC.
What is the InChIKey of (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine?
The InChIKey is YSEOLQVTEGJQJO-UETPGWAMSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-7-8-13(15-11-6-2)10-9-12(3)14-4/h8-10H,5-7,11H2,1-4H3/b10-9-,13-8-,14-12+.
What are the key properties of (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine?
(3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine has a molecular weight of 209.33 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-5-propoxynona-3,5-dien-2-imine is sourced from PubChem (CID 134555754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).