(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine

C13H23NO — CID 90061159

IUPAC(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine
SMILESCCNCC/C=C/C=C/C=C\CCOC
InChIInChI=1S/C13H23NO/c1-3-14-12-10-8-6-4-5-7-9-11-13-15-2/h4-9,14H,3,10-13H2,1-2H3/b5-4+,8-6+,9-7-
InChIKeyCGWXLMMGEBCNIM-OEBYFBIZSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds9

About (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine

(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine (PubChem CID 90061159) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine
PubChem CID90061159
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine
SMILESCCNCC/C=C/C=C/C=C\CCOC
InChIInChI=1S/C13H23NO/c1-3-14-12-10-8-6-4-5-7-9-11-13-15-2/h4-9,14H,3,10-13H2,1-2H3/b5-4+,8-6+,9-7-
InChIKeyCGWXLMMGEBCNIM-OEBYFBIZSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine?
The IUPAC name of (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine (CID 90061159) is (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine is CCNCC/C=C/C=C/C=C\CCOC.
What is the InChIKey of (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine?
The InChIKey is CGWXLMMGEBCNIM-OEBYFBIZSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-14-12-10-8-6-4-5-7-9-11-13-15-2/h4-9,14H,3,10-13H2,1-2H3/b5-4+,8-6+,9-7-.
What are the key properties of (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine?
(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine is sourced from PubChem (CID 90061159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).