(1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine

C7H11NO — CID 89169266

IUPAC(1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(=C/N)OC
InChIInChI=1S/C7H11NO/c1-3-4-5-7(6-8)9-2/h3-6H,1,8H2,2H3/b5-4-,7-6+
InChIKeyLJSYGBIFLUWBIE-SCFJQAPRSA-N
MW125.17 g/mol
LogP1.18
Rot. Bonds3

About (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine

(1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine (PubChem CID 89169266) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine
PubChem CID89169266
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(=C/N)OC
InChIInChI=1S/C7H11NO/c1-3-4-5-7(6-8)9-2/h3-6H,1,8H2,2H3/b5-4-,7-6+
InChIKeyLJSYGBIFLUWBIE-SCFJQAPRSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.18
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 (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine (CID 89169266) is (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine is C=C/C=C\C(=C/N)OC.
What is the InChIKey of (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine?
The InChIKey is LJSYGBIFLUWBIE-SCFJQAPRSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-5-7(6-8)9-2/h3-6H,1,8H2,2H3/b5-4-,7-6+.
What are the key properties of (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine?
(1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine has a molecular weight of 125.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-methoxyhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89169266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).