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

C13H22INO — CID 90061160

IUPAC(3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine
SMILESCCNCC/C=C/C=C/C(I)=C\CCOC
InChIInChI=1S/C13H22INO/c1-3-15-11-7-5-4-6-9-13(14)10-8-12-16-2/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3/b5-4+,9-6+,13-10+
InChIKeyWPZPJSWFUSRGNL-QHBKDWFXSA-N
MW335.23 g/mol
LogP3.45
Rot. Bonds9

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

(3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine (PubChem CID 90061160) has the molecular formula C13H22INO and a molecular weight of 335.23 g/mol. Its IUPAC name is (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine
PubChem CID90061160
Molecular FormulaC13H22INO
Molecular Weight335.23 g/mol
Exact Mass335.07
IUPAC Name(3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine
SMILESCCNCC/C=C/C=C/C(I)=C\CCOC
InChIInChI=1S/C13H22INO/c1-3-15-11-7-5-4-6-9-13(14)10-8-12-16-2/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3/b5-4+,9-6+,13-10+
InChIKeyWPZPJSWFUSRGNL-QHBKDWFXSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine?
The IUPAC name of (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine (CID 90061160) is (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine is CCNCC/C=C/C=C/C(I)=C\CCOC.
What is the InChIKey of (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine?
The InChIKey is WPZPJSWFUSRGNL-QHBKDWFXSA-N. The full InChI is InChI=1S/C13H22INO/c1-3-15-11-7-5-4-6-9-13(14)10-8-12-16-2/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3/b5-4+,9-6+,13-10+.
What are the key properties of (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine?
(3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine has a molecular weight of 335.23 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-N-ethyl-7-iodo-10-methoxydeca-3,5,7-trien-1-amine is sourced from PubChem (CID 90061160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).