(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine

C10H17NO2 — CID 143223439

IUPAC(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C/CN)OCCOC
InChIInChI=1S/C10H17NO2/c1-3-10(6-4-5-7-11)13-9-8-12-2/h3-6H,1,7-9,11H2,2H3/b5-4-,10-6+
InChIKeyIUAOXRHRLRTDIC-VWJYOPCBSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds7

About (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine

(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine (PubChem CID 143223439) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine
PubChem CID143223439
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C/CN)OCCOC
InChIInChI=1S/C10H17NO2/c1-3-10(6-4-5-7-11)13-9-8-12-2/h3-6H,1,7-9,11H2,2H3/b5-4-,10-6+
InChIKeyIUAOXRHRLRTDIC-VWJYOPCBSA-N
XLogP1.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine (CID 143223439) is (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine is C=C/C(=C\C=C/CN)OCCOC.
What is the InChIKey of (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine?
The InChIKey is IUAOXRHRLRTDIC-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(6-4-5-7-11)13-9-8-12-2/h3-6H,1,7-9,11H2,2H3/b5-4-,10-6+.
What are the key properties of (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine?
(2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(2-methoxyethoxy)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).