(2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine

C10H15NO — CID 135225419

IUPAC(2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine
SMILESC=CNC/C=C/C=C\C(=C)OC
InChIInChI=1S/C10H15NO/c1-4-11-9-7-5-6-8-10(2)12-3/h4-8,11H,1-2,9H2,3H3/b7-5+,8-6-
InChIKeyRZWVVEUVEJIBJK-YMBWGVAGSA-N
MW165.24 g/mol
LogP1.99
Rot. Bonds6

About (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine

(2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine (PubChem CID 135225419) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine
PubChem CID135225419
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine
SMILESC=CNC/C=C/C=C\C(=C)OC
InChIInChI=1S/C10H15NO/c1-4-11-9-7-5-6-8-10(2)12-3/h4-8,11H,1-2,9H2,3H3/b7-5+,8-6-
InChIKeyRZWVVEUVEJIBJK-YMBWGVAGSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine (CID 135225419) is (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine is C=CNC/C=C/C=C\C(=C)OC.
What is the InChIKey of (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine?
The InChIKey is RZWVVEUVEJIBJK-YMBWGVAGSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-11-9-7-5-6-8-10(2)12-3/h4-8,11H,1-2,9H2,3H3/b7-5+,8-6-.
What are the key properties of (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine?
(2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethenyl-6-methoxyhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 135225419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).