(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine

C14H25NO — CID 167242092

IUPAC(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine
SMILESCCC/C=C/C(CC)=C(/C=C(\C)OC)NC
InChIInChI=1S/C14H25NO/c1-6-8-9-10-13(7-2)14(15-4)11-12(3)16-5/h9-11,15H,6-8H2,1-5H3/b10-9+,12-11+,14-13-
InChIKeyRHOGZLWCUMAPLL-ANWBFWSBSA-N
MW223.36 g/mol
LogP3.78
Rot. Bonds7

About (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine

(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine (PubChem CID 167242092) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine
PubChem CID167242092
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine
SMILESCCC/C=C/C(CC)=C(/C=C(\C)OC)NC
InChIInChI=1S/C14H25NO/c1-6-8-9-10-13(7-2)14(15-4)11-12(3)16-5/h9-11,15H,6-8H2,1-5H3/b10-9+,12-11+,14-13-
InChIKeyRHOGZLWCUMAPLL-ANWBFWSBSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine?
The IUPAC name of (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine (CID 167242092) is (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine.
What is the SMILES notation for (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine?
The canonical SMILES for (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine is CCC/C=C/C(CC)=C(/C=C(\C)OC)NC.
What is the InChIKey of (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine?
The InChIKey is RHOGZLWCUMAPLL-ANWBFWSBSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-8-9-10-13(7-2)14(15-4)11-12(3)16-5/h9-11,15H,6-8H2,1-5H3/b10-9+,12-11+,14-13-.
What are the key properties of (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine?
(2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-5-ethyl-2-methoxy-N-methyldeca-2,4,6-trien-4-amine is sourced from PubChem (CID 167242092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).